Name: HDAC1/2-IN-3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323047
Cas No:2121516-17-2
常用名:HDAC1/2-IN-3
别名:HDAC1/2-IN-3
IUPAC:N-[2-amino-5-(thiophen-2-yl)phenyl]-7-{[2-(dimethylamino)ethyl]amino}isoquinoline-3-carboxamide
IUPAC:N-[2-amino-5-(thiophen-2-yl)phenyl]-7-{[2-(dimethylamino)ethyl]amino}isoquinoline-3-carboxamide
InChI key:KDTPUATYLVOWAX-UHFFFAOYSA-N

分子式:C24H25N5OS
分子量:431.56
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN(C)CCNc1ccc2cc(ncc2c1)C(=O)Nc1cc(ccc1N)-c1cccs1
SMILES:CN(C)CCNc1ccc2cc(ncc2c1)C(=O)Nc1cc(ccc1N)-c1cccs1

HDAC1/2-IN-3 is an inhibitor of both HDAC1 and HDAC2, demonstrating IC50 values of 0-5 nM and 5-10 nM, respectively.

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