scores

By Targets:	Amyloid-β (1) Bacterial (1) E1/E2/E3 Enzyme (1) iGluR (1) LPL Receptor (2) mTOR (1)
By Research Areas:	Cancer (1) Infection (1) Inflammation/Immunology (3) Metabolic Disease (1) Neurological Disease (4)

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-111021

ASP-4058 1 Publications Verification	LPL Receptor	Inflammation/Immunology
ASP-4058 is a next-generation, selective and oral bioactive agonist for Sphingosine 1-Phosphate receptors 1 and 5 (S1P₁ and S1P₅), ameliorates rodent experimental autoimmune encephalomyelitis with a favorable safety profile .

HY-111021A

ASP-4058 hydrochloride	LPL Receptor	Inflammation/Immunology
ASP-4058 hydrochloride is a next-generation, selective and orally active agonist for Sphingosine 1-Phosphate receptors 1 and 5 (S1P₁ and S1P₅), ameliorates rodent experimental autoimmune encephalomyelitis with a favorable safety profile .

HY-P2283

β-Amyloid (1-37) (human)	Amyloid-β	Neurological Disease
β-Amyloid (1-37) (human) correlates moderately with Mini-Mental State Examination (MMSE) scores in Alzheimer disease. β-Amyloid (1-37) (human) possesses an added diagnostic value .

HY-162164

Neuroprotective agent 3	Others	Neurological Disease
Neuroprotective agent 3 (Compound 21a) is an antioxidant that exhibits neuroprotective effects. Neuroprotective agent 3 significantly increases neuronal viability and induces neuroprotection, as well as improves neurological deficit scores in an in vivo model of transient cerebral ischemia .

HY-157167

mTORC1-IN-1	mTOR	Neurological Disease Cancer
mTORC1-IN-1 (T1) is a rapamycin homologue (rapalog) and selective mTORC1 inhibitor. mTORC1-IN-1 regulates cell growth and metabolism and is implicated in a variety of diseases including cancer. mTORC1-IN-1 targets mTORC1 by binding to the FKBP12-FRB complex (docking score = −11.6 kcal/mol) .

HY-N0401A

(Z)-Ligustilide 2 Publications Verification	Bacterial	Infection Metabolic Disease
(Z)-Ligustilide is extracted from Ligusticum chuanxiong Hort, has antimicrobial and antifungal activity, exhibits an average antifungal score of 5.6 . (Z)-Ligustilide inhibits the expression of FATP5 and DGAT, inhibits fatty acid uptake and esterification in mice and has potential as therapeutics for nonalcoholic fatty liver disease (NAFLD) . (Z)-Ligustilide is also able to reactivate ERα, has epigenetic regulation, and is used in the study of tamoxifen-resistant breast cancer .

HY-135844

LS-102 2 Publications Verification	E1/E2/E3 Enzyme	Inflammation/Immunology
LS-102 is a selective E3 ubiquitin ligase synoviolin (Syvn1) inhibitor. LS-102 inhibits the autoubiquitination of synoviolin with an IC₅₀ of 35 μM. LS-102 has the potential for rheumatoid arthritis treatment .

HY-157936

GluN2B-NMDAR antagonist-2	iGluR	Neurological Disease
GluN2B-NMDAR antagonist-2 (compound S-58) is a potent, selective and cross the blood-brain barrier NMDAR-GluN2B antagonist with an IC₅₀ value of 74.01, nM. GluN2B-NMDAR antagonist-2 shows mild cytotoxicity. GluN2B-NMDAR antagonist-2 decreases the cerebral infarction rates and neurologic deficit scores. GluN2B-NMDAR antagonist-2 has the potential for the research of stroke .

Cat. No.	Product Name

HY-L0107V

Life Chemicals Natural Product-like Compound Library	13,236 compounds
Natural products are small molecules produced naturally by any organism including primary and secondary metabolites. Nowadays, new drugs based on Natural products are successfully applied to treat tumors, viral and bacterial diseases, and nervous disorders. In response to the current drug discovery demand, we created this natural product-like compound library with 13,236 in-stock synthetic compounds similar to natural ones. The library was designed by 2D fingerprint similarity filtering, chemical descriptor-based and natural-likeness scoring selection. These compounds are useful tools for high throughput screening (HTS) and high content screening (HCS) programs.

Life Chemicals Natural Product-like Compound Library

13,236 compounds

Natural products are small molecules produced naturally by any organism including primary and secondary metabolites. Nowadays, new drugs based on Natural products are successfully applied to treat tumors, viral and bacterial diseases, and nervous disorders. In response to the current drug discovery demand, we created this natural product-like compound library with 13,236 in-stock synthetic compounds similar to natural ones. The library was designed by 2D fingerprint similarity filtering, chemical descriptor-based and natural-likeness scoring selection. These compounds are useful tools for high throughput screening (HTS) and high content screening (HCS) programs.

HY-L0121V

MCE 10K Natural Product-like Compound Library	10,000 compounds
Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways. MCE 10K Natural Product-like Compound Library consists of 10,000 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).

MCE 10K Natural Product-like Compound Library

10,000 compounds

Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways.

MCE 10K Natural Product-like Compound Library consists of 10,000 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).

Cat. No.	Product Name	Target	Research Area

HY-P2283

β-Amyloid (1-37) (human)	Amyloid-β	Neurological Disease
β-Amyloid (1-37) (human) correlates moderately with Mini-Mental State Examination (MMSE) scores in Alzheimer disease. β-Amyloid (1-37) (human) possesses an added diagnostic value .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-N0401A

(Z)-Ligustilide 2 Publications Verification	Structural Classification Natural Products Classification of Application Fields Source classification Metabolic Disease Dicerothamnus rhinocerotis Plants Umbelliferae Disease Research Fields	Bacterial
(Z)-Ligustilide is extracted from Ligusticum chuanxiong Hort, has antimicrobial and antifungal activity, exhibits an average antifungal score of 5.6 . (Z)-Ligustilide inhibits the expression of FATP5 and DGAT, inhibits fatty acid uptake and esterification in mice and has potential as therapeutics for nonalcoholic fatty liver disease (NAFLD) . (Z)-Ligustilide is also able to reactivate ERα, has epigenetic regulation, and is used in the study of tamoxifen-resistant breast cancer .

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