BMS-986141

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Synonyms
Status
Molecule Category Free-form
UNII W530IRZ40G

Structure

InChI Key KEEBLYWBELVGPQ-UHFFFAOYSA-N
Smiles COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChI
InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H23N5O5S2
Molecular Weight 561.65
AlogP 5.63
Hydrogen Bond Acceptor 11.0
Number of Rotational Bond 8.0
Polar Surface Area 104.22
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Proteinase activated receptor 4 antagonist ANTAGONIST ClinicalTrials PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Protease-activated receptor Protease-activated receptor
- 3.35 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.35 - - -

Target Conservation

Protein: Proteinase activated receptor 4
Description: Proteinase-activated receptor 4
Organism : Homo sapiens
Q96RI0 ENSG00000127533

Cross References

Resources Reference
ChEMBL CHEMBL3716552
DrugBank DB14942
FDA SRS W530IRZ40G
PubChem 72188743
SureChEMBL SCHEMBL15348940
ZINC ZINC000205663568
CONTENTS