Name: BRD4-BD1/2-IN-1
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214433341
Cas No:1781219-19-9
常用名:BRD4-BD1/2-IN-1
IUPAC:4-[5-(2,4-difluorophenoxy)-1H-1,3-benzodiazol-6-yl]-6-methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one
IUPAC:4-[5-(2,4-difluorophenoxy)-1H-1,3-benzodiazol-6-yl]-6-methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one
InChI key:RLVVUCKYPVPJIW-UHFFFAOYSA-N

分子式:C21H14F2N4O2
分子量:392.366
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cn1cc(-c2cc3[nH]cnc3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
SMILES:Cn1cc(-c2cc3[nH]cnc3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O

BRD4-BD1/2-IN-1 is a highly effective inhibitor of BRD4, specifically targeting the BRD4 BD-1 and BRD4 BD-2 domains with IC 50 values of <100 nM each (US20150148375A1, compound 5) [1].

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