Details of the Drug

General Information of Drug (ID: DM4QHZS)

Drug Name

BMS-986177

Synonyms

Milvexian; UNII-0W79NDQ608; Milvexian (USAN); Milvexian [USAN]; BMS 986177; JNJ-70033093; 1802425-99-5; CHEMBL4112929; SCHEMBL16982989; WHO 11401; D11802; (5R,9S)-9-(4-(5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)-6-oxopyrimidin-1(6H)-yl)-21-(difluoromethyl)-5-methyl-21H-3-aza-1(4,2)-pyridina-2(5,4)-pyrazolacyclonaphan-4-one; (9R,13S)-13-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxo-1,6-dihydropyrimidin-1-yl}-3-(difluoromethyl)-9-methyl-3,4,7,15-tetraazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one; 11,15-Metheno-15H-pyrazolo(4,3-b)(1,7)diazacyclotetradecin-5(6H)-one, 10-(4-(5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)-6-oxo-1(6H)-pyrimidinyl)-1-(difluoromethyl)-1,4,7,8,9,10-hexahydro-6-methyl-, (6R,10S)-2

Indication

Disease Entry	ICD 11	Status	REF
Cerebral ischemia	8B11	Phase 2	[1]
Ischemic stroke	8B11.5Z	Phase 2	[2]
Thrombosis	DB61-GB90	Phase 1	[3]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

626.4

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C28H23Cl2F2N9O2
IUPAC Name: (9R,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
Canonical SMILES: C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=NN3C(F)F)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl
InChI: InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
InChIKey: FSWFYCYPTDLKON-CMJOXMDJSA-N

Cross-matching ID

PubChem CID: 118277544
CAS Number: 1802425-99-5
TTD ID: DB6XD8

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Factor XI messenger RNA (F11 mRNA)	TTDM4ZU	FA11_HUMAN	Inhibitor	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Cerebral ischemia

ICD Disease Classification

8B11

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Factor XI messenger RNA (F11 mRNA)	DTT	F11	8.24E-01	-3.39E-03	-0.04

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	ClinicalTrials.gov (NCT03766581) A Study on BMS-986177 for the Prevention of a Stroke in Patients Receiving Aspirin and Clopidogrel (AXIOMATIC-SSP). U.S. National Institutes of Health.
2	ClinicalTrials.gov (NCT03766581) A Study on BMS-986177 for the Prevention of a Stroke in Patients Receiving Aspirin and Clopidogrel (AXIOMATIC-SSP). U.S. National Institutes of Health.
3	ClinicalTrials.gov (NCT03224260) To Evaluate the Safety and Pharmacokinetics of BMS-986177 in Healthy Japanese Participants. U.S. National Institutes of Health.
4	Discovery methods of coagulation-inhibiting drugs. Expert Opin Drug Discov. 2017 Dec;12(12):1195-1205.