Search Result

Results for "

pain model

" in MedChemExpress (MCE) Product Catalog:

By Targets:	11β-HSD (1) 5-HT Receptor (7) AAK1 (1) Adenosine Kinase (1) Adenosine Receptor (5) Adenylate Cyclase (2) Adrenergic Receptor (4) Akt (4) Apoptosis (11) Arrestin (2) Autophagy (2) Bacterial (2) Bcl-2 Family (1) Biochemical Assay Reagents (2) Bradykinin Receptor (3) Calcium Channel (10) Cannabinoid Receptor (10) Carboxypeptidase (1) Caspase (3) CaSR (1) CGRP Receptor (1) Cholinesterase (ChE) (4) COX (9) CXCR (2) Cytochrome P450 (1) DAGL (1) Dopamine Transporter (1) Drug Derivative (1) Endogenous Metabolite (3) Environmental Pollutants (1) ERK (7) Eukaryotic Initiation Factor (eIF) (2) FAAH (4) Fungal (2) GABA Receptor (1) GlyT (4) GPR84 (1) HDAC (1) Heme Oxygenase (HO) (2) Histamine Receptor (5) iGluR (2) Imidazoline Receptor (1) Interleukin Related (7) Isotope-Labeled Compounds (2) JAK (2) JNK (3) Keap1-Nrf2 (2) mAChR (2) MAGL (3) Mas-related G-protein-coupled Receptor (MRGPR) (4) mGluR (6) MMP (1) MOFs (1) Monoamine Transporter (1) mTOR (2) Na+/K+ ATPase (2) nAChR (2) Neurokinin Receptor (2) Neurotensin Receptor (3) NF-κB (3) NO Synthase (6) NOD-like Receptor (NLR) (1) Opioid Receptor (13) Orphan GPCR (2) P2X Receptor (5) P2Y Receptor (3) p38 MAPK (4) Parasite (1) PARP (1) PERK (3) PGE synthase (1) PI3K (4) Polo-like Kinase (PLK) (1) Potassium Channel (9) PPAR (1) Prostaglandin Receptor (4) Reference Standards (7) Serotonin Transporter (2) Sigma Receptor (6) Small Interfering RNA (siRNA) (1) Sodium Channel (22) Somatostatin Receptor (4) STAT (1) TNF Receptor (4) Toll-like Receptor (TLR) (2) Trk Receptor (2) TRP Channel (13) TSPO (1)
By Research Areas:	Cancer (11) Cardiovascular Disease (8) Endocrinology (3) Infection (3) Inflammation/Immunology (61) Metabolic Disease (8) Neurological Disease (144)
Oligonucleotides:	Adjuvant (1) siRNA drugs (1) siRNAs (1)

180

Inhibitors & Agonists

Screening Libraries

Peptides

Natural
Products

Isotope-Labeled Compounds

Oligonucleotides

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-D0849

Sodium iodoacetate 2 Publications Verification Iodoacetic acid sodium salt	Biochemical Assay Reagents	Metabolic Disease Inflammation/Immunology
Sodium iodoacetate is a specific inhibitor of GAPDH and has glycolysis inhibitory activity. In addition, sodium iodoacetate can induce osteoarthritis and related pain models in experimental animals .

HY-17444

Tesaglitazar	PPAR	Metabolic Disease Cancer
Tesaglitazar is a dual-target PPARα/γ agonist with an EC₅₀ of 13.4 μM for rat PPARα and 3.6 μM for human PPARα. Tesaglitazar affects lipid and glucose metabolism by activating PPARα and PPARγ receptors, and has the potential to improve blood sugar and relieve pain. Tesaglitazar can be used to induce in vivo tumor models and can be used in the study of type 2 diabetes, dyslipidemia, and neuropathic pain .

HY-156815

YL-365	Orphan GPCR	Neurological Disease Inflammation/Immunology
YL-365 is a potent and selective GPR34 antagonist with an IC₅₀ of 17 nM. YL-365 binds to a portion of the orthosteric binding pocket of GPR34 and induces allosteric changes that stabilize the receptor in an inactive conformation. YL-365 down-regulates expression of the proinflammatory gene iNOS in M1 microglia and suppresses proinflammatory responses. YL-365 reduces mechanical allodynia in a dose-dependent manner in a mouse model of neuropathic pain. YL-365 can be used for the research of neuropathic pain .

HY-69019

7-Nitroindazole 1 Publications Verification	NO Synthase	Cardiovascular Disease Neurological Disease
7-Nitroindazole is a selective and BBB-penetrable inhibitor of nitric oxide synthase (NOS) (IC₅₀ = 0.47 μM in mouse cerebellum). 7-Nitroindazole does not affect blood pressure or endothelium-dependent relaxation while inhibiting nNOS in experimental animals. 7-Nitroindazole has anti-injurious and neuroprotective properties, and can be studied in research for neurological diseases such as Parkinson’s disease .

HY-P1241

BAM(8-22) 1 Publications Verification	Mas-related G-protein-coupled Receptor (MRGPR)	Neurological Disease Inflammation/Immunology
BAM(8-22), a proteolytically cleaved product of proenkephalin A and sensory neuron-specific receptor (SNSR) agonist, is a potent activator of Mas-related G-protein-coupled receptors (Mrgprs), MrgprC11 and hMrgprX1. BAM(8-22) induces scratching in mice in an Mrgpr-dependent manner. In addition, BAM(8-22) has an analgesic effect and can also inhibit the activation of microglia .

HY-120546

Ulixacaltamide 1 Publications Verification Z944; PRAX-944	Calcium Channel	Neurological Disease Inflammation/Immunology
Ulixacaltamide (Z944) is an orally available T-type calcium channel antagonist that can slow the progression of epilepsy. Ulixacaltamide effectively reduces tremor in a normal alkaline tremor animal model. Ulixacaltamide reverses thermal hyperalgesia and mediates pain relief .

HY-N2258

Poncirin 4 Publications Verification	Apoptosis	Inflammation/Immunology
Poncirin is isolated from Poncirus trifoliata with anti-inflammory activites. Poncirin significantly reduces mechanical hyperalgesia and allodynia in Complete Freund’s Adjuvant (CFA)-induced inflammatory pain models .

HY-15451

MDA 19 2 Publications Verification BZO-HEXOXIZID	Cannabinoid Receptor	Neurological Disease
MDA 19 is a potent and selective agonist of human cannabinoid receptor 2 (CB2), with a K_i of 43.3 nM. MDA 19 has antiallodynic effects in a rat model of neuropathic pain and does not affect rat locomotor activity .

HY-139347

Mazisotine LY3556050; CNTX-0290	Somatostatin Receptor	Neurological Disease
Mazisotine (CNTX-0290) is an orally active, non-opioid somatostatin receptor 4 (SSTR4) agonist with an EC₅₀ of 4.7 nM. Mazisotine exerts significant analgesic effects in various nociceptive (inflammatory, osteoarthritic) and neuropathic pain models. Mazisotine can be used for pain research .

HY-106199

Adenosine A1 receptor activator T62 1 Publications Verification	Adenosine Receptor	Neurological Disease Inflammation/Immunology
Adenosine A1 receptor activator T62 is an allosteric enhancer of adenosine A1 receptor. Adenosine A1 receptor activator T62 produces antinociception in animal models of acute pain and also reduces hypersensitivity in models of inflammatory and nerve-injury pain .

HY-N3710

Dehydrocrenatidine Kumujian G; O-Methylpicrasidine I	JAK Apoptosis	Neurological Disease Cancer
Dehydrocrenatidine, a natural alkaloid, is a specific JAK inhibitor. Dehydrocrenatidine inhibits voltage-gated sodium channels and ameliorates mechanic allodia in a rat model of neuropathic pain .

HY-133130

JNJ-42226314 1 Publications Verification	MAGL	Neurological Disease
JNJ-42226314, a chemical probe, is a competitive, highly selective and reversible non-covalent monoacylglycerol lipase (MAGL) inhibitor. JNJ-42226314 demonstrates dose-dependent enhancement of the major endocannabinoid 2-arachidonoylglycerol (2-AG) as well as efficacy in models of neuropathic and inflammatory pain .

HY-110199

TC-I 2014	TRP Channel	Neurological Disease
TC-I 2014 (compound 5) is a potent and orally active Benzimidazole-containing transient receptor potential melastatin 8 (TRPM8) antagonist, with IC₅₀ values of 0.8 nM, 3.0 nM and 4.4 nM for canine, human and rat channels respectively. TC-I 2014 exhibits antiallodynic properties in pain models .

HY-155417

GPR34 receptor antagonist 3	Orphan GPCR ERK	Neurological Disease
GPR34 receptor antagonist 3 (Compound 5e) is a class of GRP34 antagonists, IC₅₀ is 0.680 μM. GPR34 receptor antagonist 3 inhibited ERK1/2 phosphorylation induced by lysophosphatidylserine in a dose-dependent way without obvious cytotoxicity. GPR34 receptor antagonist 3 shows antisensory activity in mouse neuropathic pain model .

HY-119033

MGL-IN-1	MAGL	Inflammation/Immunology
MGL-IN-1 is a potent and selective irreversible MGL (β-lactam-based monoacylglycerol lipase) inhibitor. MGL-IN-1 alleviates symptoms in a MS model in vivo and exhibits analgesic effects in an acute inflammatory pain model in vivo. MGL-IN-1 displays high membrane permeability and brain penetrant .

HY-131004

CB2R PAM	Cannabinoid Receptor	Neurological Disease
CB2R PAM is an orally active cannabinoid type-2 receptors (CB2Rs) positive allosteric modulator. CB2R PAM displays antinociceptive activity in vivo in an experimental mouse model of neuropathic pain .

HY-P1091

Hemopressin (human, mouse)	Cannabinoid Receptor	Neurological Disease
Hemopressin is a nonapeptide derived from the α1-chain of hemoglobin, is originally isolated from rat brain homogenates. Hemopressin is orally active, selective and inverse agonist of CB1 cannabinoid receptors. Hemopressin exerts antinociceptive action in inflammatory pain models .

HY-111996

Kv3 activator-1	Potassium Channel	Neurological Disease Inflammation/Immunology
Kv3 activator-1 is a Kv3 family voltage-gated potassium channel activator. Kv3 activator-1 reverses mechanical hyperalgesia in rat models of neuropathic and inflammatory pain, with rapid onset and long-lasting, dose-related effects. Kv3 activator-1 can be used for the research of pain .

HY-111029A

ALX-1393 TFA	GlyT	Others
ALX-1393 TFA, a selective GlyT2 inhibitor, has an antinociceptive effect on thermal, mechanical, and chemical stimulations in a rat acute pain model .

HY-A0235

Antrafenine Stakane	COX	Neurological Disease
Antrafenine (Stakane) is a non-narcotic analgesic. Antrafenine demonstrates central analgesic effects in acetic acid writhing test and mouse hot plate test experiments. Antrafenine significantly alleviates the pain of osteoarthritis. Antrafenine exhibits mild anti-inflammatory activity in a rat toe edema model. Antrafenine can be used in pain and anti-inflammatory research .

HY-101546A

Cavidine (+)-Cavidine	p38 MAPK ERK Interleukin Related	Neurological Disease Inflammation/Immunology
Cavidine ((+)-Cavidine) is an analgesic and anti-inflammatory agent. Cavidine can be isolated from Corydalis ternata f. yanhusuo (Y.H.Chou & Chun C.Hsu) Y.C.Zhu. Cavidine reduces the expression of inflammatory factors IL-1β, IL-6 and TNF-α, and inhibits calcium ion influx. Cavidine inhibits the phosphorylation of p38 and ERK1/2. Cavidine increases mechanical and thermal pain thresholds in chronic pain models. Cavidine can be used for the research of chronic pain .

HY-P1090

Hemopressin(rat)	Cannabinoid Receptor	Neurological Disease
Hemopressin(rat) is a nonapeptide derived from the α1-chain of hemoglobin, is originally isolated from rat brain homogenates. Hemopressin(rat) is orally active, selective and inverse agonist of CB1 cannabinoid receptors. Hemopressin(rat) exerts antinociceptive action in inflammatory pain models .

HY-175231

ST171	5-HT Receptor	Neurological Disease
ST171 is a bitopic 5-HT1AR agonist with an K_i of 0.41  nM. ST171 selectively activates G_i/o signaling pathway and inhibits 5-HT1AR-mediated cAMP accumulation without G_s activation and marginal β-arrestin recruitment. T171 reduces hypersensitivity in chronic neuropathic and inflammatory pain mice model. ST171 can be used for pain research .

HY-111029

ALX-1393	GlyT	Neurological Disease
ALX-1393, a selective GlyT2 inhibitor, has an antinociceptive effect on thermal, mechanical, and chemical stimulations in a rat acute pain model .

HY-118952

PF-06456384	Sodium Channel	Neurological Disease
PF-06456384 is a highly potent and selective Na_V1.7 inhibitor with an IC₅₀ of 0.01 nM. PF-06456384 has the potential for formalin pain model research .

HY-145830

AC1-IN-1	Adenylate Cyclase	Neurological Disease
AC1-IN-1 is a potent and selective Adenylyl cyclase type 1 (AC1) inhibitor with an IC₅₀ of 0.54 μM. AC1-IN-1 displays modest antiallodynic effects in a mouse model of inflammatory pain .

HY-142701

SSTR4 agonist 4	Somatostatin Receptor	Neurological Disease
SSTR4 agonist 4 is a potent agonist of SSTR4. SSTR4 is expressed at relatively high levels in the hippocampus and neocortex, memory and learning regions, and Alzheimer's disease pathology. SSTR4 agonists are potent in rodent models of pain associated with acute and chronic associated anti-peripheral nociceptive and anti-inflammatory activity. SSTR4 agonist 4 has the potential for the research of pain (extracted from patent WO2021233428A1, compound 14) .

HY-W987949

Z-4105	Others	Neurological Disease
Z-4105 is an orally active nootropic agent. Z-4105 reverses the amnesic effects of electroconvulsive shock (ECS) and methylazoxymethanol acetate (MAM), and improves learning and memory functions. Z-4105 enhances the activity of the brain cholinergic system without affecting other neurotransmitter systems. Z-4105 significantly alleviates neuropathic pain in rats. Z-4105 can be used in the research of neuropathic pain and brain dysfunction .

HY-107561

A-943931 hydrochloride	Histamine Receptor	Inflammation/Immunology
A-943931 (Compound 10) is a histamine H₄ receptor antagonists. A-943931 has improved pharmacotropic and in vivo efficacy in models of pain and inflammation. A-943931 can be used in vivo anti-inflammatory and anti-nociception research .

HY-10635

ABT-102	TRP Channel	Inflammation/Immunology Cancer
ABT-102 is a potent and highly selective Vanilloid Receptor (TRPV1) receptor antagonist. ABT-102 potently and reversibly increases heat pain thresholds and reduced painfulness of suprathreshold oral/cutaneous heat. ABT-102 reduces nociceptive responses of animals in models of inflammatory, bone cancer, postoperative, and osteoarthritic pain .

HY-124277

ADM 12	TRP Channel	Neurological Disease
ADM 12 is a highly selective transient receptor potential ankyrin 1 (TRPA1) channel antagonist. ADM 12 blocks nitroglycerin (NTG)-induced trigeminal hyperalgesia in animal models, reducing expression of pain-related genes (c-Fos, TRPA1) and neuropeptides (CGRP, SP). ADM_12 is promising for research of migraine and neuropathic pain .

HY-169430

AGU654	PGE synthase
AGU654 (Compound 44) is a selective mPGES-1 inhibitor with an IC₅₀ of 2.9 nM against mPGES-1. AGU654 inhibits mPGES-1 to block the pathway converting arachidonic acid into prostaglandin E2 (PGE2) by COX-1/2, thereby alleviating inflammatory responses, pain, and fever. In activated human monocyte-derived macrophages and human whole blood models, AGU654 selectively suppresses bacterial exotoxin-induced PGE2 production while preserving the production of other prostaglandins. In guinea pig models, AGU654 significantly alleviates fever, inflammation, and inflammatory pain, exhibiting excellent anti-inflammatory, analgesic, and antipyretic effects. AGU654 holds promise as a strategy for studying inflammatory diseases and pain .

HY-138693

ST4070	FAAH	Neurological Disease
ST4070 is a potent, orally active, and selective reversible fatty acid amide hydrolase (FAAH) inhibitor. ST4070 increases endocannabinoid (eCB) brain levels and counteracts neuropathic pain in animal models. ST4070 enhances the endogenous eCB tone in specific brain regions engaged in emotional control, and induces remarkable anxiolytic-like behaviours in rodents. ST4070 can be used for neuropathic pain and anxiety disorders research .

HY-112567

TRR469	Adenosine Receptor	Neurological Disease
TRR469 is a positive allosteric modulator of the A₁ adenosine receptor (A₁AR). TRR469 significantly increases the affinity of 2-chloro N(6)-cyclopentyladenosine (CCPA) for A₁AR, increasing the number of receptors recognized by the agonist radioligand [³H]-CCPA. TRR469 shows significant effects in both anxiety and pain models. TRR469 can be used to study anxiety disorders and pain management .

HY-120496

Clofutriben ASP3662	11β-HSD	Neurological Disease Metabolic Disease
Clofutriben (ASP3662) is a selective, orally active and brain-penetrant 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with K_i values of 5.3 nM (human), 2.6 nM (mouse), and 23 nM (rat). Clofutriben inhibits conversion of inactive glucocorticoids to active glucocorticoids, reducing intracellular glucocorticoid exposure. Clofutriben ameliorates neuropathic pain, and restores muscle pressure thresholds in rodent models, while lacking effects in inflammatory pain .

HY-167862

UCM-05194	Endogenous Metabolite	Neurological Disease
UCM-05194 is a selective LPA1 receptor agonist with activity to improve neuropathic pain. UCM-05194 is a LPA1 agonist that exhibits potent and selective properties in its pharmacologically similar properties. UCM-05194 triggers LPA1-mediated cellular effects and leads to internalization of the receptor, resulting in functional inactivation in primary sensory neurons. UCM-05194 effectively reduces pain perception in in vivo models. UCM-05194 can be used to conduct research on progressive systemic diseases .

HY-P5900

m3-Huwentoxin IV m3-HwTx-IV	Sodium Channel	Neurological Disease
m3-Huwentoxin IV (m3-HwTx-IV) is a potent Na_V inhibitor with IC₅₀s of 3.3, 6.8, 7.2, 8.4, 11.9 and 369 nM against hNa_V1.7, hNa_V1.6, hNa_V1.3, hNa_V1.1, hNa_V1.2 and hNa_V1.4, respectively in QPatch assay. m3-Huwentoxin IV dose-dependently suppresses spontaneous pain induced by the Na_V1.7 activator OD1 in a rodent pain model .

HY-172903

Nav1.8-IN-16	Sodium Channel	Neurological Disease Inflammation/Immunology
Nav1.8-IN-16 (Compound (R)-40) is an orally active and selective hNaV 1.8 inhibitor (IC₅₀: 5.9 nM). Nav1.8-IN-16 exerts analgesic effects by blocking NaV1.8 channels without significantly affecting other NaV subtypes or hERG channels. Nav1.8-IN-16 exhibits dose-dependent analgesic effects in postoperative pain and inflammatory pain models and can be used in pain-related research .

HY-159931

HW161023	AAK1	Neurological Disease
HW161023 (compound 5) is an orally active AP2-associated protein kinase 1 (AAK1) inhibitor with IC₅₀ values of 5.4 nM and 11.9 μM aganist of AAK1and hERG, respectively. HW161023 inhibits the pain in chronic constriction injury of the sciatic nerve rat model .

HY-137610A

TNP-ATP tetrasodium	P2X Receptor P2Y Receptor	Neurological Disease
TNP-ATP is an antagonist of purinergic P2Y1, P2X3, and P2X2/3 receptors (IC₅₀ = 6, 0.9, and 7 nM, respectively, in HEK293 cells expressing human receptors). TNP-ATP reduces acetate-induced calcium flux in 1321N1 cells expressing P2X3 and P2X2/3 receptors (IC₅₀ = 100 and 62 nM, respectively). TNP-ATP dose-dependently attenuates acetate-induced abdominal contractions in a mouse visceral pain model (ED₅₀ = 6.35 µmol/kg) ^[1][2].

HY-19500

SC-75416	COX	Others
SC-75416 is a selective cyclooxygenase-2 inhibitor. Its pharmacokinetic/pharmacodynamic (PK/PD) model was used for development and clinical trial simulation to design a study protocol to verify its analgesic effect in a post-oral surgery pain model. The simulation results showed that 360 mg of SC-75416 may provide better pain relief than 400 mg of ibuprofen. The actual clinical trial results confirmed this hypothesis, and 360 mg of SC-75416 was indeed superior to 400 mg of ibuprofen in pain relief. The PK/PD model of SC-75416 showed good predictive performance and successfully predicted its clinical effect. These research results show that SC-75416, as a new selective COX-2 inhibitor, has potential clinical application value in the management of post-oral surgery pain.

HY-113608

VCP171	Adenosine Receptor	Neurological Disease
VCP171 is a potent adenosine A1 receptor (A1R) positive allosteric modulator (PAM). VCP171 is effective at decreasing excitatory synaptic currents in Lamina II of neuropathic pain model. VCP171 can be used for researching neuropathic pain .

HY-W344115

Bicifadine	5-HT Receptor Dopamine Transporter Adrenergic Receptor	Neurological Disease
Bicifadine is an orally active serotonin/norepinephrine/dopamine triple reuptake inhibitor. Bicifadine is an effective antinociceptive in several models of acute, persistent, and chronic pain .

HY-16525

XEN-2174	Monoamine Transporter Adrenergic Receptor	Neurological Disease
XEN-2174 is a noradrenaline transporter (NET) inhibitor. XEN-2174 inhibits the reuptake of noradrenaline through non-competitive inhibition, increasing the concentration of noradrenaline in the synaptic cleft, thereby activating α2-adrenergic receptor at the spinal level and exerting analgesic effects. XEN-2174 exhibits long-lasting analgesic effects in models of neuropathic pain and postoperative pain in rats. XEN-2174 can be used in pain research .

HY-119912

Antrafenine dihydrochloride Stakane dihydrochloride	COX	Neurological Disease Inflammation/Immunology
Antrafenine (Stakane) dihydrochloride is a non-narcotic analgesic. Antrafenine dihydrochloride demonstrates central analgesic effects in acetic acid writhing test and mouse hot plate test experiments. Antrafenine dihydrochloride significantly alleviates osteoarthritis pain. Antrafenine dihydrochloride exhibits mild anti-inflammatory activity in a rat toe edema model. Antrafenine dihydrochloride can be used for pain and anti-inflammatory research .

HY-161682

GPR84 antagonist 9	GPR84	Neurological Disease
GPR84 antagonist 9 (compound 320) is an orally active GPR84 antagonist with the IC₅₀ of 0.012 μM. GPR84 antagonist 9 can be used for study of inflammatory-driven pain diseases .

HY-177691

CCI17464	Prostaglandin Receptor	Neurological Disease Inflammation/Immunology
CCI17464 is a selective, orally active EP₄ partial agonist with a pK_i of 7.1. CCI17464 can be used in a Freund's complete adjuvant (FCA) acute rat inflammatory pain model and shows complete reversal of allergic reactions .

HY-P5907

Helianorphin-19	Opioid Receptor	Neurological Disease
Helianorphin-19 is a potent and selective κ-opioid receptor (KOR) activator with a K_i of 21 nM and an EC₅₀ of 45 nM. Helianorphin-19 exhibits strong KOR-specific peripheral analgesic activity in a mouse model of chronic visceral pain .

HY-135495

AM-0466	Sodium Channel Histamine Receptor	Inflammation/Immunology
AM-0466 is a sodium channel inhibitor with nanomolar levels of NaV1.7 inhibitory activity. AM-0466 exhibits potent pharmacodynamic activity in a NaV1.7-dependent histamine-induced itch model. AM-0466 also showed significant analgesic effects in capsaicin-induced pain models. After optimizing its pharmacokinetic properties, AM-0466 was advanced into in vivo targeting and efficacy models for testing .

HY-176063

TRPV1 antagonist 11	TRP Channel Opioid Receptor	Neurological Disease
TRPV1 antagonist 11 (compound 2ac) is a potent TRPV1 antagonist with an IC₅₀ of 29.3 nM. TRPV1 antagonist 11 is a potent μ-opioid receptor (MOR) agonist with a K_i of 60.3 nM. TRPV1 antagonist 11, a pyrimidine piperazine, exhibits pain relieving effects by antagonizing TRPV1 and stimulating MOR. TRPV1 antagonist 11 shows a potent, dose-dependent anti-nociceptive effect in a Formalin-induced pain model in mice .

Cat. No.	Product Name

HY-L923

Ion Channel Lead-like Compound Library

9000 compounds

Ion channels are key proteins on the cell membrane that regulate the flow of ions across membranes. They participate in nearly all physiological processes, including nerve conduction, muscle contraction, heart rhythm, and pain perception. Abnormalities in their function can lead to various serious diseases such as arrhythmia, epilepsy, hypertension, neuropathic pain, and cancer. Therefore, ion channels are highly valuable drug targets—over 15% of approved drugs target ion channels currently, demonstrating their irreplaceable therapeutic value in cardiovascular, neurological, and analgesic fields.

MCE has collected a library of over 5,000 reported ion channel-related bioactive compounds targeting major sites such as Na+ channels, K+ channels, Ca2+ channels, GABA receptors, iGluRs, and others. Using AI models, these compounds are characterized through both 2D representations (molecular fingerprints, pharmacophores) and 3D representations (3D conformation) to screen for a collection of lead-like compounds highly similar to known active molecules. Additionally, an hERG channel prediction algorithm integrating XGB and ISE mapping strategy is employed to assess and exclude potential cardiotoxicity in the library.. This step significantly reduces safety risks in subsequent screenings, particularly for ion channel drug development related to cardiovascular systems (e.g., Nav1.5, Cav1.2), effectively minimizing failures due to hERG inhibition and serving as a valuable tool for ion channel drug screening.

Cat. No.	Product Name	Target	Research Area

HY-P1241

BAM(8-22) 1 Publications Verification	Mas-related G-protein-coupled Receptor (MRGPR)	Neurological Disease Inflammation/Immunology
BAM(8-22), a proteolytically cleaved product of proenkephalin A and sensory neuron-specific receptor (SNSR) agonist, is a potent activator of Mas-related G-protein-coupled receptors (Mrgprs), MrgprC11 and hMrgprX1. BAM(8-22) induces scratching in mice in an Mrgpr-dependent manner. In addition, BAM(8-22) has an analgesic effect and can also inhibit the activation of microglia .

HY-P1091

Hemopressin (human, mouse)	Cannabinoid Receptor	Neurological Disease
Hemopressin is a nonapeptide derived from the α1-chain of hemoglobin, is originally isolated from rat brain homogenates. Hemopressin is orally active, selective and inverse agonist of CB1 cannabinoid receptors. Hemopressin exerts antinociceptive action in inflammatory pain models .

HY-P1090

Hemopressin(rat)	Cannabinoid Receptor	Neurological Disease
Hemopressin(rat) is a nonapeptide derived from the α1-chain of hemoglobin, is originally isolated from rat brain homogenates. Hemopressin(rat) is orally active, selective and inverse agonist of CB1 cannabinoid receptors. Hemopressin(rat) exerts antinociceptive action in inflammatory pain models .

HY-P1220A

Huwentoxin-IV TFA	Sodium Channel	Neurological Disease
Huwentoxin-IV TFA is a potent and selective sodium channel blocker, inhibits neuronal Nav1.7, Nav1.2, Nav1.3 and Nav1.4 with IC₅₀s of 26, 150, 338 and 400 nM, respectively. Huwentoxin-IV TFA preferentially blocks peripheral nerve subtype Nav1.7 by binding neurotoxin receptor site 4. Huwentoxin-IV TFA has analgesic effects on animal models of inflammatory and neuropathic pain .

HY-P5900

m3-Huwentoxin IV m3-HwTx-IV	Sodium Channel	Neurological Disease
m3-Huwentoxin IV (m3-HwTx-IV) is a potent Na_V inhibitor with IC₅₀s of 3.3, 6.8, 7.2, 8.4, 11.9 and 369 nM against hNa_V1.7, hNa_V1.6, hNa_V1.3, hNa_V1.1, hNa_V1.2 and hNa_V1.4, respectively in QPatch assay. m3-Huwentoxin IV dose-dependently suppresses spontaneous pain induced by the Na_V1.7 activator OD1 in a rodent pain model .

HY-16525

XEN-2174	Monoamine Transporter Adrenergic Receptor	Neurological Disease
XEN-2174 is a noradrenaline transporter (NET) inhibitor. XEN-2174 inhibits the reuptake of noradrenaline through non-competitive inhibition, increasing the concentration of noradrenaline in the synaptic cleft, thereby activating α2-adrenergic receptor at the spinal level and exerting analgesic effects. XEN-2174 exhibits long-lasting analgesic effects in models of neuropathic pain and postoperative pain in rats. XEN-2174 can be used in pain research .

HY-P5907

Helianorphin-19	Opioid Receptor	Neurological Disease
Helianorphin-19 is a potent and selective κ-opioid receptor (KOR) activator with a K_i of 21 nM and an EC₅₀ of 45 nM. Helianorphin-19 exhibits strong KOR-specific peripheral analgesic activity in a mouse model of chronic visceral pain .

HY-P10767

MD01-67	Neurotensin Receptor	Neurological Disease
MD01-67 is a selective macrocyclic compound targeting the neurotensin receptor type 2 (NTS2), with K_i of 2.9 nM. MD01-67 exhibits analgesic and tactile hypersensitivity reducing activity in rats acute/persistent/chronic inflammatory pain models .

HY-P3223A

Biphalin acetate	Opioid Receptor	Neurological Disease
Biphalin acetate, a BBB-penetrable opioid peptide analog, contains two active enkephalin pharmacophores.Biphalin acetate has high affinity for opioid receptors. Biphalin acetate shows analgesic effect in acute, neuropathic, and chronic animal pain models. Biphalin acetate is also an antiviral, antiproliferative, anti-inflammatory, and neuroprotective agent .

HY-P10898

GeX-2	nAChR Calcium Channel GABA Receptor	Neurological Disease
GeX-2 is a truncated analogue of αO-conotoxin. GeX-2 activates GABA_B receptor. GeX-2 inhibits α9α10 nAChR and Ca_V2.2 channels. GeX-2 alleviates pain in the rat model of chronic constriction injury .

HY-P1220

Huwentoxin-IV	Sodium Channel	Neurological Disease
Huwentoxin-IV is a potent and selective sodium channel blocker, inhibits neuronal Nav1.7, Nav1.2, Nav1.3 and Nav1.4 with IC₅₀s of 26, 150, 338 and 400 nM, respectively. Huwentoxin-IV preferentially blocks peripheral nerve subtype Nav1.7 by binding neurotoxin receptor site 4. Huwentoxin-IV has analgesic effects on animal models of inflammatory and neuropathic pain .

HY-P5874

Myr-TAT-CBD3	Calcium Channel	Inflammation/Immunology
Myr-TAT-CBD3 is CRMP2-CaV2.2 interaction inhibitor. Myr-tat-CBD3 can significantly attenuate carrageenan-induced thermal hypersensitivity and reverse thermal hypersensitivity induced in a rat model of postoperative pain. Myr-TAT-CBD3 can be used to study inflammation and postoperative pain .

HY-P1330

Purotoxin 1	P2X Receptor	Inflammation/Immunology
Purotoxin 1 is a P2X3 receptor inhibitor. Purotoxin 1 shows antinociceptive properties in animal models of inflammatory pain. Purotoxin 1 can be isolated from the venom of the wolf spider Geolycosa sp .

HY-P3223

Biphalin TFA	Opioid Receptor	Neurological Disease
Biphalin TFA, a BBB-penetrable opioid peptide analog, contains two active enkephalin pharmacophores. Biphalin TFA has high affinity for opioid receptors. Biphalin TFA shows analgesic effect in acute, neuropathic, and chronic animal pain models. Biphalin TFA is also an antiviral, antiproliferative, anti-inflammatory, and neuroprotective agent .

HY-P1091A

Hemopressin(human, mouse) TFA	Cannabinoid Receptor	Neurological Disease
Hemopressin TFA is a nonapeptide derived from the α1-chain of hemoglobin, is originally isolated from rat brain homogenates. Hemopressin TFA is orally active, selective and inverse agonist of CB1 cannabinoid receptors. Hemopressin TFA exerts antinociceptive action in inflammatory pain models .

HY-P1090A

Hemopressin(rat) TFA	Cannabinoid Receptor	Neurological Disease
Hemopressin(rat) TFA is a nonapeptide derived from the α1-chain of hemoglobin, is originally isolated from rat brain homogenates. Hemopressin(rat) TFA is orally active, selective and inverse agonist of CB1 cannabinoid receptors. Hemopressin(rat) TFA exerts antinociceptive action in inflammatory pain models .

HY-P11831

RD-pepcan-11	Cannabinoid Receptor PERK	Inflammation/Immunology
RD-pepcan-11 is a CB1 receptor agonist. RD-pepcan-11 increases the relative phosphorylation level of ERK1/2. RD-pepcan-11 mediates analgesic effects through interaction with CB1 receptors in a carrageenan-induced mouse inflammatory pain model. RD-pepcan-11 can be used in studies related to inflammatory pain .

HY-P11480

TrkA/NGF-IN-1	Trk Receptor	Neurological Disease
TrkA/NGF-IN-1 (Peptide 19) is an inhibitor of protein-protein interactions between TrkA and NGF (IC₅₀: 21 nM for human TrkA in PathHunter assay). TrkA/NGF-IN-1 shows an analgesic effect in a rat incisional pain model .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-N1500

Pulegone 1 Publications Verification	Structural Classification Other Monoterpenes Classification of Application Fields Glycyrrhiza aspera Pall. Terpenoids Labiatae Plants Endogenous metabolite Inflammation/Immunology Disease Research Fields Source Classification	TRP Channel Bacterial Fungal NO Synthase COX NF-κB p38 MAPK Keap1-Nrf2 Heme Oxygenase (HO) PERK JNK Calcium Channel
Pulegone is a monoterpene ketone compound widely present in the essential oils of many plants. Pulegone can also be used as a bird repellent. Pulegone has multiple activities such as anti-inflammatory, antibacterial, antifungal, and anti-hyperalgesic effects. Pulegone is particularly effective against bacteria of the Salmonella species .

HY-N6967

Levomenol (-)-α-Bisabolol	Structural Classification other families Terpenoids Sesquiterpenes Plants Source Classification	Environmental Pollutants Apoptosis
Levomenol ((-)-α-Bisabolol), a monocyclic sesquiterpene alcohol, exerts antioxidant, anti-inflammatory, and anti-apoptotic activities. Levomenol also has neuroprotective effects and prevents neuronal damage and memory deficits through reduction of proinflammatory markers induced by permanent focal cerebral ischemia in mice. Levomenol attenuates nociceptive behaviour and central sensitisation in a rodent model of trigeminal neuropathic pain. Orally active .

HY-N0745

Senkyunolide I	Structural Classification Natural Products Classification of Application Fields Dicerothamnus rhinocerotis Umbelliferae Plants Inflammation/Immunology Disease Research Fields Source Classification	Caspase ERK Keap1-Nrf2 Heme Oxygenase (HO) Apoptosis
Senkyunolide I is an orally active, blood-brain barrier-permeable metabolite of Z-ligustilide (HY-N0401A) . Senkyunolide I is isolated from Ligusticum chuanxiong. Senkyunolide I upregulates p-Erk1/2 and Nrf2/HO-1, and inhibits Caspase 3. Senkyunolide I alleviates Apoptosis. Senkyunolide I increases the pain threshold in mice and reduces acetic acid-induced writhing responses in mice. Senkyunolide I improves neurological deficits, reduces infarct volume and alleviates cerebral edema in rats with focal cerebral ischemia-reperfusion injury. Senkyunolide I protects renal function and structural integrity in a mouse model of renal ischemia-reperfusion injury. Senkyunolide I is applicable to research related to focal cerebral ischemia-reperfusion injury, migraine, and renal ischemia-reperfusion injury .

HY-N2258

Poncirin 4 Publications Verification	Monophenols Flavonoids other families Classification of Application Fields Flavonones Phenols Plants Inflammation/Immunology Disease Research Fields Source Classification	Apoptosis
Poncirin is isolated from Poncirus trifoliata with anti-inflammory activites. Poncirin significantly reduces mechanical hyperalgesia and allodynia in Complete Freund’s Adjuvant (CFA)-induced inflammatory pain models .

HY-N5084

Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside	Structural Classification Flavonoids Classification of Application Fields Flavonones Other Diseases Phenols Polyphenols Saxifragaceae Plants Penthorum chinense Pursh Disease Research Fields Source Classification	TRP Channel HDAC p38 MAPK JNK ERK NF-κB TNF Receptor Interleukin Related
Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside is a TRPV1 antagonist and HDAC7 inhibitor. Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside blocks TRPV1-mediated calcium influx, suppresses phosphorylation of p65, IκBα, p38, JNK, and ERK1/2, inhibiting NF-κB and MAPK signaling cascades. Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside reduces production and gene expression of pro-inflammatory cytokines IL-1β, IL-6, and TNF-α. Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside exhibits potent analgesic activity, elevates thermal pain threshold and mechanical pain threshold in murine models. Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside restores CD8 ⁺ T cell infiltration into bladder cancer tumors and improves bladder cancer immunotherapy efficacy. Pinocembrin 7-O-[3''-O-galloyl-4'',6''-hexahydroxydiphenoyl]-β-D-glucoside can be used for the researches of painand bladder cancer .

HY-N3710

Dehydrocrenatidine Kumujian G; O-Methylpicrasidine I	Alkaloids Simaroubaceae Pyridine Alkaloids Plants Source Classification	JAK Apoptosis
Dehydrocrenatidine, a natural alkaloid, is a specific JAK inhibitor. Dehydrocrenatidine inhibits voltage-gated sodium channels and ameliorates mechanic allodia in a rat model of neuropathic pain .

HY-N1198

Strictosamide	Alkaloids Classification of Application Fields Nauclea officinalis (Pirre ex Pitard) Merr. Rubiaceae Plants Inflammation/Immunology Disease Research Fields Indole Alkaloids Source Classification	Parasite Fungal NO Synthase Interleukin Related NF-κB p38 MAPK Na+/K+ ATPase PERK JNK Akt PI3K
Strictosamide is a compound that can be isolated from Nauclea officinalis. Strictosamide has various activities such as anti-inflammatory, analgesic, anti-Plasmodium, antifungal, and promoting wound healing .

HY-N0885

Telocinobufagin 1 Publications Verification Telobufotoxin; Telocinobufogenin	Structural Classification Animals Classification of Application Fields Other Diseases Disease Research Fields Steroids Source Classification	JAK STAT mTOR PI3K Akt Polo-like Kinase (PLK) Na+/K+ ATPase Apoptosis Bacterial
Telocinobufagin (Telobufotoxin; Telocinobufogenin) is an orally active bufadienolide with potential anti-tumor effects. Telocinobufagin exerts its anti-cancer effects on non-small cell carcinoma, osteosarcoma, thyroid cancer, breast cancer and head and neck squamous cell carcinoma by inhibiting the STAT3, JAK2/STAT3, LARP1-mTOR, PI3K/Akt/Snail and PLK1 pathways, and can also induce tumor cell apoptosis. Telocinobufagin enhances the Th1 immune response and protects against Salmonella typhimurium infection. Telocinobufagin has a strong cardiac-stimulating effect by inhibiting the activity of Na ⁺/K ⁺-ATPase, and it can promote renal fibrosis. Telocinobufagin demonstrates non-opioid analgesic effects in various acute pain models .

HY-101546A

Cavidine (+)-Cavidine	Structural Classification Alkaloids Corydalis yanhusuo W. T. Wang Plants Isoquinoline Alkaloids Papaveraceae Source Classification	p38 MAPK ERK Interleukin Related
Cavidine ((+)-Cavidine) is an analgesic and anti-inflammatory agent. Cavidine can be isolated from Corydalis ternata f. yanhusuo (Y.H.Chou & Chun C.Hsu) Y.C.Zhu. Cavidine reduces the expression of inflammatory factors IL-1β, IL-6 and TNF-α, and inhibits calcium ion influx. Cavidine inhibits the phosphorylation of p38 and ERK1/2. Cavidine increases mechanical and thermal pain thresholds in chronic pain models. Cavidine can be used for the research of chronic pain .

HY-N6967R

Levomenol (Standard) (-)-α-Bisabolol (Standard)	Structural Classification other families Terpenoids Sesquiterpenes Plants Source Classification	Reference Standards Apoptosis
Levomenol (Standard) is the analytical standard of Levomenol. This product is intended for research and analytical applications. Levomenol ((-)-α-Bisabolol), a monocyclic sesquiterpene alcohol, exerts antioxidant, anti-inflammatory, and anti-apoptotic activities. Levomenol also has neuroprotective effects and prevents neuronal damage and memory deficits through reduction of proinflammatory markers induced by permanent focal cerebral ischemia in mice. Levomenol attenuates nociceptive behaviour and central sensitisation in a rodent model of trigeminal neuropathic pain. Orally active .

HY-N2258R

Poncirin (Standard)	Structural Classification Monophenols Flavonoids other families Flavonones Phenols Plants Source Classification	Reference Standards Apoptosis
Poncirin (Standard) is the analytical standard of Poncirin. This product is intended for research and analytical applications. Poncirin is isolated from Poncirus trifoliata with anti-inflammory activites. Poncirin significantly reduces mechanical hyperalgesia and allodynia in Complete Freund’s Adjuvant (CFA)-induced inflammatory pain models .

HY-N19281

Puberulin	Structural Classification Agathosma puberula (Steud.) Fourc. Rutaceae Coumarins Phenylpropanoids Plants Source Classification	Drug Derivative
Puberulin is a coumarin compound and an orally effective analgesic. Puberulin is present in Choisya ternata var. Sundance. Puberulin exerts analgesic activity against chemical and heat-induced pain agents in mouse models, and this activity does not involve opioid receptors or muscarinic receptors. Puberulin can be used in the research of neuropathic pain .

HY-N17727

Divaricatol	Structural Classification Monophenols Xeranthemum annuum L. Phenols Umbelliferae Plants Source Classification	Interleukin Related TNF Receptor
Divaricatol is an orally ative chromone natural product and an active component in Saposhnikovia divaricata. Divaricatol reduces the release of pro-inflammatory cytokines and restores immune homeostasis by stably binding to 5KIR (a target of the TNF/IL-17 pathway). Divaricatol exerts analgesic effects in mouse models. Divaricatol can be used in the research of pain, diarrhea-predominant irritable bowel syndrome (IBS-D) and qi deficiency syndrome .

Cat. No.	Product Name	Chemical Structure

HY-167855S

1’-Epi Gemcitabine hydrochloride-13C,15N2

1’-Epi Gemcitabine hydrochloride- ¹³C, ¹⁵N₂ is the ¹³C- and ¹⁵N-labeled MRS4833 (HY-167855). MRS4833 (compound 15) is an orally active, potent, competitive P2Y14R antagonist with an of IC₅₀ of 5.92 nM for hP2Y14R and an IC₅₀ of 4.8 nM for mP2Y14R. MRS4833 reduces airway eosinophilia in a protease-mediated asthma model and reverses chronic neuropathic pain in a mouse CCI model .

HY-W027553S1

Ipidacrine-d9

Ipidacrine-d₉ (NIK-247-d₉ (free base)) is the deuterium labeled Ipidacrine (HY-W027553). Ipidacrine is orally active and brain-penetrant AChE and BuChE inhibitors with IC₅₀ values of 1 μM and 1.9 μM, respectively, which is also a partial agonist of M2-cholinergic receptors and a reversible cholinesterase inhibitor. Ipidacrine has a stimulating effect on neuromuscular transmission and excitation along the nerve fibres with a moderately anti-pain effect. Ipidacrine is an aminopyridines and is structurally similar to Tacrine (HY-111338). Ipidacrine is effective in various amnesia models, improves erectile function and inhibits K+ and Na+-channels in the neuronal membrane in diabetic rats. Ipidacrine is promising for research of Alzheimer’s disease, ischaemic stroke, idiopathic neuropathy of the facial nerve, diabetes mellitus-induced erectile dysfunction and other deficits in central or peripheral cholinergic deseases .

Cat. No.	Product Name		Classification

HY-153808

Complete Freund's adjuvant (CFA) 10+ Cited Publications		Adjuvant
Complete Freund's adjuvant (CFA) is an immunoadjuvant emulsified with antigen by its discoverer Jules T. Freund to enhance an animal's immune response to an antigen. Complete Freund's adjuvant (CFA) is also an inducer of the Th1 immune response and a ligand of TLRs. Complete Freund's adjuvant (CFA) contains heat-killed inactive tuberculosis bacilli and consists of a paraffin oil-in-water emulsion. Complete Freund's adjuvant (CFA) stimulates a strong and durable immune response and can be used to induce persistent inflammatory pain models in mice, experimental autoimmune myocarditis (EAM) models, and more. Incomplete Freund's adjuvant (IFA) (HY-153808A) is another type of Freund's Adjuvant that stimulates a weaker immune response .

HY-132596A

Tivanisiran sodium SYL1001 sodium		siRNAs siRNA drugs
Tivanisiran sodium (SYL1001 sodium) is a small interfering RNA (siRNA) targeting TRPV1 . Tivanisiran sodium induces the degradation of TRPV1 mRNA, thereby inhibiting protein synthesis. Tivanisiran sodium alleviates ocular discomfort and pain, and improves ocular hyperemia and tear quality. Tivanisiran sodium is applicable to research related to dry eye disease .

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