Name: HCV-IN-4
Rating: 5 (10 reviews)

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HIT ID:HIT218851894
Cas No:2058080-25-2
常用名:HCV-IN-4
IUPAC:methyl N-[(2S)-1-[(2S)-2-{5-[(9S)-9-(3,4-dihydro-2H-1-benzopyran-7-yl)-3-fluoro-14-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-8-oxa-10-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,11,13,15-heptaen-5-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
IUPAC:methyl N-[(2S)-1-[(2S)-2-{5-[(9S)-9-(3,4-dihydro-2H-1-benzopyran-7-yl)-3-fluoro-14-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-8-oxa-10-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,11,13,15-heptaen-5-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
InChI key:XELUICQHKUXLAP-YTBPSGRCSA-N

分子式:C52H58FN9O8
分子量:956.089
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc(F)c2-c3cc4cc(ccc4n3[C@@H](Oc2c1)c1ccc2CCCOc2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
SMILES:COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc(F)c2-c3cc4cc(ccc4n3[C@@H](Oc2c1)c1ccc2CCCOc2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

HCV-IN-4, a potent and orally active inhibitor of HCV NS5A, demonstrates significant efficacy against genotypes GT1a, GT2b, GT3a, and the GT1a mutations Y93H and L31V. Its half-maximal effective concentrations (EC90s) are 3 pM, 0.3 nM, 0.01 nM, 0.5 nM, and 0.02 nM, respectively[1].

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