MILVEXIAN

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Synonyms:	BMS 986177 BMS-986177 JNJ-70033093
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	0W79NDQ608

Structure


InChI Key	FSWFYCYPTDLKON-CMJOXMDJSA-N
Smile	C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C28H23Cl2F2N9O2
Molecular Weight	626.46
AlogP	5.8
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	125.41
Molecular species	NEUTRAL
Aromatic Rings	5.0
Heavy Atoms	43.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Coagulation factor XI inhibitor

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	35	-
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily	-	-	-	0.1-0.11	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Atrial Fibrillation	3	D001281	ClinicalTrials
Acute Coronary Syndrome	3	D054058	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4112929
DrugBank	DB16233
FDA SRS	0W79NDQ608
PubChem	118277544
SureChEMBL	SCHEMBL16982989

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