Name: CCR4 antagonist 3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323160
Cas No:2174938-70-4
常用名:CCR4 antagonist 3
别名:CCR4 antagonist 3
IUPAC:1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-{3-[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl}-1H-pyrazolo[3,4-b]pyrazine-3-carbonitrile
IUPAC:1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-{3-[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl}-1H-pyrazolo[3,4-b]pyrazine-3-carbonitrile
InChI key:PNCGVFJZWKHMCL-CVEARBPZSA-N

分子式:C24H27Cl2N7O
分子量:500.43
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1
SMILES:C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1

CCR4 antagonist 3 is an orally active, potent and selective CCR4 antagonist. CCR4 antagonist 3, featuring a novel piperidinyl-azetidine motif, has IC 50 s of 22 nM and 50 nM in the calcium flux and CTX assay. CCR4 antagonist 3 has antitumor activity.

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