Name: BRD-IN-3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671117
Cas No:2351938-32-2
常用名:BRD-IN-3
IUPAC:2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
IUPAC:2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
InChI key:PUFPGLSWMMJNSE-LSDHHAIUSA-N

分子式:C21H25N5O3
分子量:395.463
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:1.4943507
SMILES:CN1C[C@@H](C[C@@H](C1)c1ccc2OCCOc2c1)Nc1nc2cc[nH]c2c(=O)n1C
SMILES:CN1C[C@@H](C[C@@H](C1)c1ccc2OCCOc2c1)Nc1nc2cc[nH]c2c(=O)n1C

BRD-IN-3 is a highly potent PCAF bromodomain (BRD) inhibitor (IC50: 7 nM). It also exhibits activity against GCN5 and FALZ.

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