Name: HBV-IN-21
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214434255
Cas No:2460957-52-0
常用名:HBV-IN-21
IUPAC:N'-(4-fluorophenyl)-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbohydrazide
IUPAC:N'-(4-fluorophenyl)-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbohydrazide
InChI key:BPHVFFGBLPFNDK-UHFFFAOYSA-N

分子式:C17H17FN4OS2
分子量:376.47
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)Cc1sc(nc1C(=O)NNc1ccc(F)cc1)-c1nccs1
SMILES:CC(C)Cc1sc(nc1C(=O)NNc1ccc(F)cc1)-c1nccs1

HBV-IN-21 (Compound II-8b) is a potent inhibitor of HBV DNA replication, exhibiting an IC50 of 2.2 μM. It demonstrates a favorable binding affinity (K D = 60.0 μM) for the HBV 4 capsid protein, thereby enabling effective interaction [1].

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