Name: ITK inhibitor 5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214435249
Cas No:2404603-41-2
常用名:ITK inhibitor 5
IUPAC:N-[2-({2-[6-(difluoromethyl)-1H-indazol-3-yl]-1H-indol-4-yl}oxy)ethyl]prop-2-enamide
IUPAC:N-[2-({2-[6-(difluoromethyl)-1H-indazol-3-yl]-1H-indol-4-yl}oxy)ethyl]prop-2-enamide
InChI key:OBBVIHVLZBQAGF-UHFFFAOYSA-N

分子式:C21H18F2N4O2
分子量:396.398
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cccc2[nH]1
SMILES:FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cccc2[nH]1

ITK inhibitor 5 (compound 27) is a highly potent and selectively targeted inhibitor of ITK. It exhibits IC50 values of 5.6 nM and 25 nM for ITK and BTK respectively [1].

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