Name: Gemfibrozil 1-O-β-glucuronide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670934
Cas No:91683-38-4
常用名:Gemfibrozil 1-O-β-glucuronide
IUPAC:(2S,3S,4S,5R,6S)-6-{[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6S)-6-{[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI key:CJMNXSKEVNPQOK-LVEJAMMSSA-N

分子式:C21H30O9
分子量:426.462
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:2.4418502
SMILES:Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1
SMILES:Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1

Gemfibrozil 1-O-β-Glucuronide, a metabolite of Gemfibrozil, is a potent and competitive inhibitor of P450 (CYP) isoform CYP2C8, with an IC50 of 4.07 μM.

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