Name: PF-04634817
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212672815
Cas No:1228111-63-4
常用名:PF-04634817
IUPAC:(3S,4S)-3-methoxy-N-[(1R,3S)-3-(propan-2-yl)-3-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]cyclopentyl]oxan-4-amine
IUPAC:(3S,4S)-3-methoxy-N-[(1R,3S)-3-(propan-2-yl)-3-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]cyclopentyl]oxan-4-amine
InChI key:MCRWZBYTLVCCJJ-DKALBXGISA-N

分子式:C25H36F3N5O3
分子量:511.59
氢键供体数 (HBD):1
氢键受体数 (HBA):7
LogP:2.907452
SMILES:[H][C@]12CN(c3cc(ncn3)C(F)(F)F)[C@]([H])(CN1C(=O)[C@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(C)C)C2
SMILES:[H][C@]12CN(c3cc(ncn3)C(F)(F)F)[C@]([H])(CN1C(=O)[C@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(C)C)C2

PF-0463481 is safe and well-tolerated and has the potential for the study of diabetic nephropathy. PF-0463481 is an effective and orally active dual CCR2/CCR5 antagonist. It also has comparable human and rodent CCR2 potency (rat IC50=20.8 nM). PF-0463481 shows 10-20 fold less rodent CCR5 potency (rat IC50=470 nM).

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