Name: CCR2 antagonist 5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318473
Cas No:1228650-83-6
常用名:CCR2 antagonist 5
别名:JNJ-41443532 Free Base, JNJ-41443532, JNJ41443532, JNJ 41443532
别名:JNJ-41443532 Free Base, JNJ-41443532, JNJ41443532, JNJ 41443532
IUPAC:N-{1-[(1r,4r)-4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl}-2-{[3-(trifluoromethyl)phenyl]formamido}acetamide
IUPAC:N-{1-[(1r,4r)-4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl}-2-{[3-(trifluoromethyl)phenyl]formamido}acetamide
InChI key:CFKBNYUHQSQBSX-CYWCHRQTSA-N

分子式:C22H25F3N4O3S
分子量:482.52
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncs1 |wU:1.0,wD:4.7,1.30,(-7.4,-2.13,;-5.89,-1.86,;-4.55,-1.09,;-3.22,-1.86,;-3.22,-3.4,;-4.55,-4.17,;-5.89,-3.4,;-1.89,-4.17,;-1.49,-5.66,;,-5.26,;-.4,-3.77,;1.33,-6.03,;2.67,-5.26,;2.67,-3.72,;4,-6.03,;5.33,-5.26,;6.67,-6.03,;6.67,-7.57,;8,-5.26,;9.34,-6.03,;10.67,-5.26,;10.67,-3.72,;9.34,-2.95,;8,-3.72,;9.34,-1.41,;9.34,.13,;7.8,-1.41,;10.88,-1.41,;-6.41,-.41,;-7.89,.01,;-7.95,1.55,;-6.5,2.08,;-5.55,.86,)|
SMILES:O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncs1 |wU:1.0,wD:4.7,1.30,(-7.4,-2.13,;-5.89,-1.86,;-4.55,-1.09,;-3.22,-1.86,;-3.22,-3.4,;-4.55,-4.17,;-5.89,-3.4,;-1.89,-4.17,;-1.49,-5.66,;,-5.26,;-.4,-3.77,;1.33,-6.03,;2.67,-5.26,;2.67,-3.72,;4,-6.03,;5.33,-5.26,;6.67,-6.03,;6.67,-7.57,;8,-5.26,;9.34,-6.03,;10.67,-5.26,;10.67,-3.72,;9.34,-2.95,;8,-3.72,;9.34,-1.41,;9.34,.13,;7.8,-1.41,;10.88,-1.41,;-6.41,-.41,;-7.89,.01,;-7.95,1.55,;-6.5,2.08,;-5.55,.86,)|

CCR2 antagonist 5 (JNJ-41443532) 是一种具有选择性和口服活性的 hCCR2 抑制剂，具有良好的结合亲和力 (IC50=37 nM) 和有效的功能拮抗作用 (chemotaxis IC50=30 nM)。JNJ-41443532 对 mCCR2 结合的 Ki 为 9.6 µM，可用于研究炎症性疾病和糖尿病。

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