Name: INCB 3284
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315240
Cas No:887401-92-5
常用名:INCB 3284
IUPAC:N-[(3R)-1-[(1r,4r)-4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl]pyrrolidin-3-yl]-2-{[3-(trifluoromethyl)phenyl]formamido}acetamide
IUPAC:N-[(3R)-1-[(1r,4r)-4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl]pyrrolidin-3-yl]-2-{[3-(trifluoromethyl)phenyl]formamido}acetamide
InChI key:NXZNYBUBXWWKCP-DNRQZRRGSA-N

分子式:C26H31F3N4O4
分子量:520.553
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@](O)(CC1)c1ccc(OC)nc1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |wU:1.17,4.8,wD:4.4,19.23,1.0,(3.51,-7.42,;2.61,-8.67,;1.7,-9.92,;.17,-9.75,;-.45,-8.35,;-1.73,-9.21,;.45,-7.1,;1.98,-7.26,;-1.52,-7.24,;-3.02,-7.61,;-4.09,-6.5,;-3.66,-5.02,;-4.73,-3.92,;-6.23,-4.29,;-2.17,-4.65,;-1.1,-5.76,;4.14,-8.83,;4.91,-10.16,;6.42,-9.84,;6.58,-8.31,;5.17,-7.69,;7.91,-7.54,;9.24,-8.31,;9.24,-9.85,;10.58,-7.54,;11.91,-8.31,;13.25,-7.54,;13.25,-6,;14.58,-8.31,;14.58,-9.85,;15.91,-10.62,;17.25,-9.85,;17.25,-8.31,;15.91,-7.54,;18.58,-7.54,;19.91,-6.77,;17.81,-6.21,;19.35,-8.88,)|
SMILES:[H][C@@]1(CC[C@](O)(CC1)c1ccc(OC)nc1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |wU:1.17,4.8,wD:4.4,19.23,1.0,(3.51,-7.42,;2.61,-8.67,;1.7,-9.92,;.17,-9.75,;-.45,-8.35,;-1.73,-9.21,;.45,-7.1,;1.98,-7.26,;-1.52,-7.24,;-3.02,-7.61,;-4.09,-6.5,;-3.66,-5.02,;-4.73,-3.92,;-6.23,-4.29,;-2.17,-4.65,;-1.1,-5.76,;4.14,-8.83,;4.91,-10.16,;6.42,-9.84,;6.58,-8.31,;5.17,-7.69,;7.91,-7.54,;9.24,-8.31,;9.24,-9.85,;10.58,-7.54,;11.91,-8.31,;13.25,-7.54,;13.25,-6,;14.58,-8.31,;14.58,-9.85,;15.91,-10.62,;17.25,-9.85,;17.25,-8.31,;15.91,-7.54,;18.58,-7.54,;19.91,-6.77,;17.81,-6.21,;19.35,-8.88,)|

INCB 3284 是一种可口服且具有选择性和高亲和力的趋化因子受体 2 （CCR2）拮抗剂，抑制单核细胞趋化蛋白 1 与 hCCR2 相互作用。INCB 3284 可用于研究失血性休克。

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