BMS-986141

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W530IRZ40G

Structure
InChI Key KEEBLYWBELVGPQ-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 104.22
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Proteinase activated receptor 4 antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 1000 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 2.1 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 36
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Protease-activated receptor Protease-activated receptor
0.45-2.1 0.4-3.35 0.086-0.1 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thrombosis 2 D013927 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Ischemic Stroke 1 D000083242 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1478711-48-6
ChEMBL CHEMBL3716552
DrugBank DB14942
FDA SRS W530IRZ40G
PubChem 72188743
SureChEMBL SCHEMBL15348940
ZINC ZINC000205663568
CONTENTS