Search Result

Results for "

off-target

" in MedChemExpress (MCE) Product Catalog:

By Targets:	5 alpha Reductase (3) 5-HT Receptor (3) ADAMTS (1) Apoptosis (3) Btk (2) Carbonic Anhydrase (1) CDK (1) Dihydroorotate Dehydrogenase (1) DNA/RNA Synthesis (1) Drug-Linker Conjugates for ADC (1) EGFR (2) Endogenous Metabolite (2) Epigenetic Reader Domain (3) ERK (2) GSK-3 (1) Indoleamine 2,3-Dioxygenase (IDO) (1) Ligands for E3 Ligase (2) MAGL (1) Methionine Adenosyltransferase (MAT) (1) Molecular Glues (2) mTOR (1) Parasite (3) PKC (1) PROTACs (1) Sirtuin (1) Sodium Channel (1) TRP Channel (1) VEGFR (1)
By Research Areas:	Cancer (18) Cardiovascular Disease (1) Infection (3) Inflammation/Immunology (2) Metabolic Disease (1) Neurological Disease (4)

By Targets:

5 alpha Reductase (3)

5-HT Receptor (3)

ADAMTS (1)

Apoptosis (3)

Btk (2)

Carbonic Anhydrase (1)

CDK (1)

Dihydroorotate Dehydrogenase (1)

DNA/RNA Synthesis (1)

Drug-Linker Conjugates for ADC (1)

EGFR (2)

Endogenous Metabolite (2)

Epigenetic Reader Domain (3)

ERK (2)

GSK-3 (1)

Indoleamine 2,3-Dioxygenase (IDO) (1)

Ligands for E3 Ligase (2)

MAGL (1)

Methionine Adenosyltransferase (MAT) (1)

Molecular Glues (2)

mTOR (1)

Parasite (3)

PKC (1)

PROTACs (1)

Sirtuin (1)

Sodium Channel (1)

TRP Channel (1)

VEGFR (1)

By Research Areas:

Cancer (18)

Cardiovascular Disease (1)

Infection (3)

Inflammation/Immunology (2)

Metabolic Disease (1)

Neurological Disease (4)

Inhibitors & Agonists

Screening Libraries

Peptides

Natural
Products

Isotope-Labeled Compounds

Targets Recommended: Target Protein Ligand-Linker Conjugates Ligands for Target Protein for PROTAC

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-114237

GDC-0276	Sodium Channel	Neurological Disease
GDC-0276 is a potent, selective, reversible and orally active NaV1.7 inhibitor with an IC₅₀ value of 0.4 nM. GDC-0276 is well tolerated and exhibits a good pharmacokinetic profile. GDC-0276 has the potential for the treatment of pain and to address shortcomings of existing pain medications, such as addiction and off-target side effects .

HY-145776

ALV1	Ligands for E3 Ligase Molecular Glues	Cancer
ALV1 potently induces degradation of both Ikaros and Helios without unexpected off-target activity. ALV1 binds CRBN with IC₅₀ of 0.55 µM. ALV1 degrades cells stably expressing IKZF1Δ and IKZF2Δ GFP fusions with mCherry reporter with DC₅₀s of 2.5 and 10.3 nM .

HY-145698

UCSF678	5-HT Receptor	Neurological Disease
UCSF678 is a 42 nM arrestin-biased partial agonist at the 5-HT_5AR with a more restricted off-target profile and decreased assay liabilities. UCSF678 is a selective probe with which to study the function of the 5-HT_5AR .

HY-133084

ERK-IN-2

ERK Cancer

ERK-IN-2 is a ERK2 inhibitor with an IC₅₀ value of 1.8 nM. ERK-IN-2 might lead to off-target toxicity and/or off-target activity at dose >10 μM .

ERK-IN-2	ERK	Cancer
ERK-IN-2 is a ERK2 inhibitor with an IC₅₀ value of 1.8 nM. ERK-IN-2 might lead to off-target toxicity and/or off-target activity at dose >10 μM .

HY-133084A

ERK-IN-2 free base	ERK	Cancer
ERK-IN-2 free base is a ERK2 inhibitor with an IC₅₀ value of 1.8 nM. ERK-IN-2 free base might lead to off-target toxicity and/or off-target activity at dose >10 μM .

HY-124593

PTC299 1 Publications Verification	VEGFR Dihydroorotate Dehydrogenase DNA/RNA Synthesis	Cancer
PTC299 is an orally active inhibitor of VEGFA mRNA translation that selectively inhibits VEGF protein synthesis at the post-transcriptional level. PTC299 is also a potent inhibitor of dihydroorotate dehydrogenase (DHODH). PTC299 shows good oral bioavailability and lack of off-target kinase inhibition and myelosuppression. PTC299 can be useful for the research of hematologic malignancies .

HY-145951

Amidate-VC-PAB-MMAF	Drug-Linker Conjugates for ADC	Cancer
Amidate-VC-PAB-MMAF consists a cleavable ADC linker (Amidate-VC-PAB) and a potent tubulin polymerization inhibitor (MMAF). Amidate-VC-PAB-MMAF can be used in the synthesis of antibody-drug conjugates (ADCs). Amidate-VC-PAB-MMAF reduces off-target cytotoxicity of ADCs .

HY-145699

UCSF686	5-HT Receptor	Others
UCSF686 is a probe with which to study the function of the 5-HT_5AR. UCSF686 loses affinity at 5-HT_5AR (>10 000 nM) but not at 5-HT_1AR, 5-HT_2BR, and 5-HT₇R. UCSF686 controls for off-target effects .

HY-116793

Dimepiperate

MY 93; Yukamate
MAGL Others

Dimepiperate (MY 93) is a thiocarbamate (TC) pesticide. Dimepiperate has potential off-targets effect for the inhibition of ABHD6 .
HY-128027

eCF309

mTOR Cancer

eCF309 is a potent and highly selective mTOR inhibitor with remarkably low off-target activities (IC₅₀ = 10-15 nM, both in vitro and in cells) .

Dimepiperate MY 93; Yukamate	MAGL	Others
Dimepiperate (MY 93) is a thiocarbamate (TC) pesticide. Dimepiperate has potential off-targets effect for the inhibition of ABHD6 .

eCF309	mTOR	Cancer
eCF309 is a potent and highly selective mTOR inhibitor with remarkably low off-target activities (IC₅₀ = 10-15 nM, both in vitro and in cells) .

HY-13613

Dutasteride 2 Publications Verification GG 745; GI 198745	5 alpha Reductase Apoptosis	Cancer
Dutasteride (GG745) is a potent inhibitor of both 5α-reductase isozymes. Dutasteride may possess off-target effects on the androgen receptor (AR) due to its structural similarity to DHT .

HY-16984

GNE-4997
GNE-4997 is a potent and selective interleukin-2-inducible T-cell kinase (ITK) inhibitor with a K_i of 0.09 nM, and the correlation between the basicity of solubilizing elements in GNE-4997 and off-target antiproliferative effects reduces cytotoxicity .

HY-162284

BAY-9835	ADAMTS	Cardiovascular Disease
BAY-9835 is a potent and orally active ADAMTS7 and ADAMTS12 antagonist with IC₅₀s of 6 nM and 30 nM, respectively. BAY-9835 is very selective against a range of off-targets and metalloproteases. BAY-9835 can be used for the atherogenesis research .

HY-13613R

Dutasteride (Standard) GG 745 (Standard); GI 198745 (Standard)	5 alpha Reductase Apoptosis	Cancer
Dutasteride (Standard) is the analytical standard of Dutasteride. This product is intended for research and analytical applications. Dutasteride (GG745) is a potent inhibitor of both 5α-reductase isozymes. Dutasteride may possess off-target effects on the androgen receptor (AR) due to its structural similarity to DHT .

HY-13613S

Dutasteride-13C6 GG 745-¹³C₆; GI 198745-¹³C₆	Apoptosis 5 alpha Reductase	Cancer
Dutasteride- ¹³C₆ is the ¹³C labeled Dutasteride[1]. Dutasteride (GG745) is a potent inhibitor of both 5α-reductase isozymes. Dutasteride may possess off-target effects on the androgen receptor (AR) due to its structural similarity to DHT[2].

HY-108331

3-TYP Maximum Cited Publications 49 Publications Verification	Sirtuin Methionine Adenosyltransferase (MAT) Indoleamine 2,3-Dioxygenase (IDO)	Others
3-TYP is an inhibitor of SIRT3 (IC₅₀: ~377 μM) and an inhibitor of Methionine Adenosyltransferase (MAT) 2 and Indoleamine 2,3-Dioxygenase (IDO). There may be many off-target sites for 3-TYP that need to be examined, such as NAD-dependent enzymes, including dehydrogenases .

HY-E70219

SpCas9 D10A Nickase	Others	Others
SpCas9 D10A Nickase is a mutant of the Cas9 protein. SpCas9 D10A Nickase retains the function of a cleavage domain of Cas9 nuclease and specifically cleaves the target single strand to form a nick. SpCas9 D10A Nickase reduces off-target effects .

HY-126323

TCMDC-135051	Parasite	Infection
TCMDC-135051 is a highly selective and potent protein kinase PfCLK3 inhibitor with low off-target toxicity. TCMDC-135051 prevents trophozoite-to-schizont transition, disrupts transcription and reduces transmission to the mosquito vector. TCMDC-135051 has antiparasiticidal activity (EC₅₀=320 nM) .

HY-126323B

TCMDC-135051 hydrochloride	Parasite	Infection
TCMDC-135051 hydrochloride is a highly selective and potent protein kinase PfCLK3 inhibitor with low off-target toxicity. TCMDC-135051 hydrochloride prevents trophozoite-to-schizont transition, disrupts transcription and reduces transmission to the mosquito vector. TCMDC-135051 hydrochloride has antiparasiticidal activity (EC₅₀=320 nM) .

HY-122051

AC1903 1 Publications Verification	TRP Channel	Metabolic Disease
AC1903 is a specific and selective inhibitor of TRPC5 and has podocyte-protective properties. AC1903 does no effects on TRPC4 or TRPC6 currents and shows no off-target effects in kinase profiling assays. AC1903 suppresses severe proteinuria and prevents podocyte loss in focal segmental glomerulosclerosis (FSGS) rat model .

HY-126323A

TCMDC-135051 TFA	Parasite	Infection
TCMDC-135051 TFA is a highly selective and potent protein kinase PfCLK3 inhibitor with low off-target toxicity. TCMDC-135051 TFA prevents trophozoite-to-schizont transition, disrupts transcription and reduces transmission to the mosquito vector. TCMDC-135051 TFA has antiparasiticidal activity (EC₅₀=320 nM) .

HY-145226

XY-06-007	PROTACs Epigenetic Reader Domain	Cancer
XY-06-007 is a selective and potent bump-and-hole (B&H)-PROTAC BRD4_BD1L94V degrader. XY-06-007 shows a DC_{50, 6 h} of 10 nM against BRD4_BD1L94V with no degradation of off-targets. XY-06-007 demonstrates suitable pharmacokinetics for in vivo studies .

HY-155534

17β-HSD10-IN-1	Endogenous Metabolite	Others
17β-HSD10-IN-1 (compound 9) is an orally active inhibitor of 17β-hydroxysteroid dehydrogenase type 10 (17β-HSD10) with blood-brain permeability. 17β-HSD10-IN-1 doesn't result additional effects for mitochondrial off-targets and cytotoxic or neurotoxic effects .

HY-19985A

(3S,4S)-PF-06459988	EGFR	Cancer
(3S, 4S)-PF-06459988 is the S enantiomer of PF-06459988 with less active. PF-06459988 is a potent irreversible inhibitor of T790M mutant epidermal growth factor receptor (EGFR). PF-06459988 has excellent selectivity against EGFR wild-type while possessing a minimally reactive electrophile that reduces the propensity of off-target labeling .

HY-131328

Pirtobrutinib 1 Publications Verification LOXO-305	Btk	Cancer
Pirtobrutinib (LOXO-305), a highly selective and non-covalent next generation BTK inhibitor, inhibits diverse BTK C481 substitution mutations. Pirtobrutinib causes regression of BTK-dependent lymphoma tumors in mouse xenograft models. Pirtobrutinib is also more than 300-fold selective for BTK versus 370 other kinases tested and shows no significant inhibition of non-kinase off-targets at 1 μM .

HY-155072

PROTAC BTK Degrader-5	Btk	Cancer
PROTAC BTK degraders-5(compound 3e) is a selective BTK degrader with a DC₅₀ value of 7.0 nM in JeKo-1 cells. PROTAC BTK degraders-5 has no off-target effect on degrading CRBN neosubstates. PROTAC BTK degraders-5 has anti-proliferation effect on various lymphoma tumor cells and can be used in chronic lymphoid malignancies research ¹.

HY-156181

hCAIX/XII-IN-8	Carbonic Anhydrase	Cancer
hCAIX/XII-IN-8 (compound 3g) is a potent human (carbonic anhydrase) CA IX and XII inhibitor, with K_i values of 8.5 and 6.7 nM, respectively. hCAIX/XII-IN-8 shows particularly strong inhibitory activity against the tumor-associated membrane-bound isoforms, hCA IX and XII, while maintaining a high selectivity ratio over cytosolic off-target isoforms hCA I and II .

HY-137464A

OATD-01 1 Publications Verification	Others	Inflammation/Immunology
OATD-01 is a highly potent, first-in-class, orally active and selective chitinase inhibitor with low nanomolar activity toward CHIT1 (hCHIT1,IC₅₀=23 nM). OATD-01 shows excellect PK profile in multiple species and is selectivity against a panel of other off-targets. OATD-01 exhibits significant antifibrotic efficacy in vivo and can be used for pulmonary fibrosis (IPF) research .

HY-148561

CDK8-IN-12	CDK GSK-3 PKC	Cancer
CDK8-IN-12 is an orally active, potent CDK8 inhibitor with a K_i of 14 nM. CDK8-IN-12 has off-target kinase inhibition on GSK-3α, GSK-3β, PCK-θ with K_is of 13 nM, 4 nM, 109 nM, respectively. CDK8-IN-12 shows potent anti-proliferative effects selectively on MV4-11 cell. CDK8-IN-12 is an anti-cancer agent .

HY-155535

17β-HSD10-IN-2	Endogenous Metabolite	Neurological Disease
17β-HSD10-IN-2 (compound 11) is a benzothiazolylurea-based inhibitor，targeting to 17β-hydroxysteroid dehydrogenase type 10 (17β-HSD10)，a multifunctional mitochondrial enzyme. 17β-HSD10-IN-2 don't lead to mitochondrial off-targets and cytotoxic or neurotoxic effects. 17β-HSD10 inhibitors can be used for research in Alzheimer's disease (AD) and hormone-dependent cancer .

HY-147319

RTI-7470-44	Others	Neurological Disease
RTI-7470-44 is a potent, selective and blood-brain barrier (BBB) penetrant human trace amine-associated receptor subtype 1 (hTAAR1) antagonist with an IC₅₀ value of 8.4 nM and a K_i value of 0.3 nM. RTI-7470-44 has moderate metabolic stability, and a favorable preliminary off-target profile. RTI-7470-44 can increase the spontaneous firing rate of mouse ventral tegmental area (VTA) dopaminergic neurons. RTI-7470-44 can be used for researching schizophrenia, agent addiction, and Parkinson’s disease (PD) .

HY-160695

PT-179	Ligands for E3 Ligase Molecular Glues	Cancer
PT-179 is an orthogonal Thalidomide (HY-14658) derivative that targets cereblon without causing off-target degradation effects. PT-179 is able to specifically bind CRBN, form a ternary complex with a target protein fused to a zinc finger (ZF) degron, and mediate the degradation of the tagged protein. For example, PT-179 binds to the ubiquitin ligase substrate receptor cereblon by forming a complex with SD40 and efficiently degrades proteins N- or C-terminally fused to SD40 or SD36 (DC50 for eGFP: 4.5 nM and 14.3 nM). PT-179 can be used to develop compact protein degradation tagging platforms .

HY-P2548

pp60 (v-SRC) Autophosphorylation Site, Phosphorylated	EGFR	Others
pp60 (v-SRC) Autophosphorylation Site, Phosphorylated is the phosphorylated peptide of an EGFR substrate. pp60 (v-SRC) Autophosphorylation Site, Phosphorylated can be used for the screening of EGFR Kinase inhibitors via phosphorylated-substrate quantification .

HY-114205

TP-238	Epigenetic Reader Domain	Cancer
TP-238 is a potent and selective dual CECR2/BPTF probe with IC₅₀ values of 30 nM and 350 nM, respectively. TP-238 also inhibits BRD9 with a pIC₅₀ of 5.9 and is less active against other 338 kinases .

HY-114205A

TP-238 hydrochloride	Epigenetic Reader Domain	Cancer
TP-238 hydrochloride is a potent and selective dual CECR2/BPTF probe with IC₅₀ values of 30 nM and 350 nM, respectively. TP-238 hydrochloride also inhibits BRD9 with a pIC₅₀ of 5.9 and is less active against other 338 kinases .

HY-16729A

Relenopride hydrochloride YKP10811 hydrochloride	5-HT Receptor	Inflammation/Immunology
Relenopride (YKP10811) hydrochloride is a specific and selective 5-HT₄ receptor agonist (K_i=4.96 nM). Relenopride hydrochloride has 120-fold and 6-fold lower affinity, respectively, for 5-HT_2A (K_i=600 nM) and 5-HT_2B receptors (K_i=31 nM) than for 5-HT₄. Relenopride hydrochloride increases gastrointestinal (GI) motility .

Cat. No.	Product Name

HY-L036

Covalent Screening Library	1670 compounds
Small molecule covalent inhibitors, or irreversible inhibitors, are a type of inhibitors that exert their biological functions by irreversibly binding to target through covalent bonds. Compared with non-covalent inhibitors, covalent inhibitors have obvious advantages in bioactivity, such that covalent warheads can target rare residues of a particular target protein, thus leading to the development of highly selective inhibitors and achieving a more complete and continued target occupancy in living systems. In recent years, the distinct strengths of covalent inhibitors in overcoming drug resistance had been recognized. However, toxicity can be a real challenge related to this class of therapeutics due to their potential for off-target reactivity and has led to these drugs being disfavored as a drug class. The drug design and optimization of covalent inhibitors has become a hot spot in drug discovery. MCE covalent inhibitor library contains 1670 small molecules including identified covalent inhibitors and other bioactive molecules having common covalent reactive groups as warheads, such as acrylamides, activated terminal acetylenes, Sulfonyl fluorides/esters, cloracetamides, alkyl halides, epoxides, aziridines, disulfides, etc.

Covalent Screening Library

1670 compounds

Small molecule covalent inhibitors, or irreversible inhibitors, are a type of inhibitors that exert their biological functions by irreversibly binding to target through covalent bonds. Compared with non-covalent inhibitors, covalent inhibitors have obvious advantages in bioactivity, such that covalent warheads can target rare residues of a particular target protein, thus leading to the development of highly selective inhibitors and achieving a more complete and continued target occupancy in living systems. In recent years, the distinct strengths of covalent inhibitors in overcoming drug resistance had been recognized. However, toxicity can be a real challenge related to this class of therapeutics due to their potential for off-target reactivity and has led to these drugs being disfavored as a drug class. The drug design and optimization of covalent inhibitors has become a hot spot in drug discovery.

MCE covalent inhibitor library contains 1670 small molecules including identified covalent inhibitors and other bioactive molecules having common covalent reactive groups as warheads, such as acrylamides, activated terminal acetylenes, Sulfonyl fluorides/esters, cloracetamides, alkyl halides, epoxides, aziridines, disulfides, etc.

HY-L036P

Covalent Screening Library Plus	2988 compounds
Small molecule covalent inhibitors, or irreversible inhibitors, are a type of inhibitors that exert their biological functions by irreversibly binding to target through covalent bonds. Compared with non-covalent inhibitors, covalent inhibitors have obvious advantages in bioactivity, such that covalent warheads can target rare residues of a particular target protein, thus leading to the development of highly selective inhibitors and achieving a more complete and continued target occupancy in living systems. In recent years, the distinct strengths of covalent inhibitors in overcoming drug resistance had been recognized. However, toxicity can be a real challenge related to this class of therapeutics due to their potential for off-target reactivity and has led to these drugs being disfavored as a drug class. The drug design and optimization of covalent inhibitors has become a hot spot in drug discovery. MCE covalent inhibitor library contains 2988 small molecules including identified covalent inhibitors and other molecules having common covalent reactive groups as warheads, such as acrylamides, activated terminal acetylenes, sulfonyl fluorides/esters, cloracetamides, alkyl halides, epoxides, aziridines, disulfides, etc. MCE Covalent inhibitor Library plus, with more powerful screening capability, further complement Covalent inhibitor Library (HY-L036) by adding some fragment compounds with covalent warheads.

Covalent Screening Library Plus

2988 compounds

MCE covalent inhibitor library contains 2988 small molecules including identified covalent inhibitors and other molecules having common covalent reactive groups as warheads, such as acrylamides, activated terminal acetylenes, sulfonyl fluorides/esters, cloracetamides, alkyl halides, epoxides, aziridines, disulfides, etc.

MCE Covalent inhibitor Library plus, with more powerful screening capability, further complement Covalent inhibitor Library (HY-L036) by adding some fragment compounds with covalent warheads.

pp60 (v-SRC) Autophosphorylation Site, Phosphorylated	EGFR	Others
pp60 (v-SRC) Autophosphorylation Site, Phosphorylated is the phosphorylated peptide of an EGFR substrate. pp60 (v-SRC) Autophosphorylation Site, Phosphorylated can be used for the screening of EGFR Kinase inhibitors via phosphorylated-substrate quantification .

Cat. No.	Product Name	Category	Target	Chemical Structure