Name: WWL113
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212000032
Cas No:947669-86-5
常用名:WWL113
IUPAC:ethyl 4'-{[methyl({[3-(pyridin-4-yl)phenyl]methyl})carbamoyl]oxy}-[1,1'-biphenyl]-4-carboxylate
IUPAC:ethyl 4'-{[methyl({[3-(pyridin-4-yl)phenyl]methyl})carbamoyl]oxy}-[1,1'-biphenyl]-4-carboxylate
InChI key:AKIIPHDGVCFVCC-UHFFFAOYSA-N

分子式:C29H26N2O4
分子量:466.537
氢键供体数 (HBD):0
氢键受体数 (HBA):3
LogP:5.8558497
SMILES:CCOC(=O)c1ccc(cc1)-c1ccc(OC(=O)N(C)Cc2cccc(c2)-c2ccncc2)cc1
SMILES:CCOC(=O)c1ccc(cc1)-c1ccc(OC(=O)N(C)Cc2cccc(c2)-c2ccncc2)cc1

WWL113 is a selective and orally active Ces3 and Ces1f inhibitor (IC50: 120 nM and 100 nM for Ces3 and Ces1f, respectively). WWL113 appears to display excellent selectivity for the 60-kDa serine hydrolase.

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