Name: hTrkA-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322830
Cas No:1824664-89-2
常用名:hTrkA-IN-1
IUPAC:3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenyl-1H-pyrazol-5-yl]urea
IUPAC:3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenyl-1H-pyrazol-5-yl]urea
InChI key:BGKSBHPSVMJTFL-IZZNHLLZSA-N

分子式:C29H32FN7O2
分子量:529.62
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COCCN1C[C@@H](NC(=O)Nc2c(C)c(nn2-c2ccccc2)-c2cnc(C)nc2)[C@@H](C1)c1cccc(F)c1
SMILES:COCCN1C[C@@H](NC(=O)Nc2c(C)c(nn2-c2ccccc2)-c2cnc(C)nc2)[C@@H](C1)c1cccc(F)c1

hTrkA-IN-1 is a potent and orally active inhibitor of TrkA kinase with an IC 50 of 1.3 nM, compound 2.hTrkA-IN-1 can be used for the study of inflammatory disease, such as prostatitis, pelvic, et al.

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