Name: ITK/TRKA-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323667
Cas No:2655557-54-1
常用名:ITK/TRKA-IN-1
IUPAC:(2S)-N-{2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazol-3-yl]-5-methyl-1H-1,3-benzodiazol-6-yl}-N-methyl-2-(morpholin-4-yl)propanamide
IUPAC:(2S)-N-{2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazol-3-yl]-5-methyl-1H-1,3-benzodiazol-6-yl}-N-methyl-2-(morpholin-4-yl)propanamide
InChI key:PWTZWYZDFORBCV-OSZRXVRWSA-N

分子式:C25H30F2N6O2
分子量:484.552
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12Cc3c(C[C@@]1(C)C2(F)F)[nH]nc3-c1nc2cc(C)c(cc2[nH]1)N(C)C(=O)[C@H](C)N1CCOCC1
SMILES:[H][C@]12Cc3c(C[C@@]1(C)C2(F)F)[nH]nc3-c1nc2cc(C)c(cc2[nH]1)N(C)C(=O)[C@H](C)N1CCOCC1

ITK/TRKA-IN-1 is a chemical compound that functions as a dual inhibitor of IL-2-inducible T-cell kinase (ITK) and tropomyosin receptor kinase A (TRKA). With an IC50 value of 1.0 nM, it effectively inhibits the activity of ITK, while demonstrating a remarkable 96% inhibition of TRKA.

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