Name: TMC310911
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212673431
Cas No:1000287-05-7
常用名:TMC310911
IUPAC:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazole-6-sulfonamido]-1-phenylbutan-2-yl]carbamate
IUPAC:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazole-6-sulfonamido]-1-phenylbutan-2-yl]carbamate
InChI key:JQUNFHFWXCXPRK-AMMMHQJVSA-N

分子式:C38H53N5O7S2
分子量:755.99
氢键供体数 (HBD):3
氢键受体数 (HBA):9
LogP:5.324506
SMILES:[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CCN(CC3)C3CCCC3)sc2c1
SMILES:[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CCN(CC3)C3CCCC3)sc2c1

TMC310911 is an effective and orally active HIV type-1 protease inhibitor (EC50: ranged from 2.2 nM to 14.2 nM for wild-type HIV-1). TMC310911 has effective activity against a wide spectrum of recombinant HIV-1 isolates.

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