Name: Milvexian
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214322794
Cas No:1802425-99-5
常用名:Milvexian
别名:JNJ-70033093, BMS-986177
IUPAC:(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[12.3.1.0^{2,6}]octadeca-1(18),2(6),4,14,16-pentaen-8-one
IUPAC:(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[12.3.1.0^{2,6}]octadeca-1(18),2(6),4,14,16-pentaen-8-one
InChI key:FSWFYCYPTDLKON-CMJOXMDJSA-N

分子式:C28H23Cl2F2N9O2
分子量:626.45
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
SMILES:C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1

Milvexian (BMS-986177) is a potent antithrombotic compound that inhibits human and rabbit factor XIa (FXIa) directly and reversibly. It is orally-bioavailable and exhibits a K i of 0.11 nM and 0.38 nM against human and rabbit FXIa, respectively.

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