Name: RORγt Inverse agonist 8
Rating: 5 (10 reviews)

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HIT ID:HIT212686802
Cas No:2079892-79-6
常用名:RORγt Inverse agonist 8
IUPAC:N-(8-{[(3S)-4-cyclopentanecarbonyl-3-methylpiperazin-1-yl]methyl}-7-methylimidazo[1,2-a]pyridin-6-yl)-2-methylpyrimidine-5-carboxamide
IUPAC:N-(8-{[(3S)-4-cyclopentanecarbonyl-3-methylpiperazin-1-yl]methyl}-7-methylimidazo[1,2-a]pyridin-6-yl)-2-methylpyrimidine-5-carboxamide
InChI key:GMRCLEMCHGYDSY-KRWDZBQOSA-N

分子式:C26H33N7O2
分子量:475.597
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:2.1211305
SMILES:C[C@H]1CN(Cc2c(C)c(NC(=O)c3cnc(C)nc3)cn3ccnc23)CCN1C(=O)C1CCCC1
SMILES:C[C@H]1CN(Cc2c(C)c(NC(=O)c3cnc(C)nc3)cn3ccnc23)CCN1C(=O)C1CCCC1

RORγt Inverse agonist 8 is a potent, selective, orally bioavailable RORγt inverse agonist(human RORγt-LBD with an IC50 of 19 nM).

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