Details of the Drug

General Information of Drug (ID: DMTKDIP)

Drug Name

BMS-986141

Synonyms

UNII-W530IRZ40G; W530IRZ40G; UDM-003183; 1478711-48-6; 4-(4-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)thiazol-2-yl)-N,N-dimethylbenzamide; CHEMBL3716552; SCHEMBL15348940; BDBM176003; DB14942; US9688695, 36; 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide; Benzamide, 4-(4-(((6-methoxy-2-(2-methoxyimidazo(2,1-b)-1,3,4-thiadiazol-6-yl)-4-benzofuranyl)oxy)methyl)-2-thiazolyl)-N,N-dimethyl-

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

561.6

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C27H23N5O5S2
IUPAC Name: 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
Canonical SMILES: CN(C)C(=O)C1=CC=C(C=C1)C2=NC(=CS2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC
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
InChIKey: KEEBLYWBELVGPQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 72188743
CAS Number: 1478711-48-6
UNII: W530IRZ40G
DrugBank ID: DB14942
TTD ID: D3AIE0

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostate apoptosis response-4 (PAWR)	TT3I4WV	PAWR_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT02671461) Safety and Efficacy Study of a Protease Activated Receptor-4 Antagonist Being Tested to Reduce the Chances of Having Additional Strokes or Mini Strokes. U.S. National Institutes of Health.
2	Protease activated receptor 4 (PAR4) antagonists: Research progress on small molecules in the field of antiplatelet agents. Eur J Med Chem. 2021 Jan 1;209:112893.