Name: RORγt Inverse agonist 3
Rating: 5 (10 reviews)

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HIT ID:HIT212686800
Cas No:2364429-77-4
常用名:RORγt Inverse agonist 3
IUPAC:(2S)-1-[2,4-dichloro-3-({[4-(1-methyl-1H-imidazol-5-yl)-2-(propan-2-yl)quinolin-8-yl]oxy}methyl)benzenesulfonyl]-N-methylpyrrolidine-2-carboxamide
IUPAC:(2S)-1-[2,4-dichloro-3-({[4-(1-methyl-1H-imidazol-5-yl)-2-(propan-2-yl)quinolin-8-yl]oxy}methyl)benzenesulfonyl]-N-methylpyrrolidine-2-carboxamide
InChI key:LQMIVDIAZXZEPL-QHCPKHFHSA-N

分子式:C29H31Cl2N5O4S
分子量:616.56
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:4.51897
SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(nc23)C(C)C)-c2cncn2C)c1Cl
SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(nc23)C(C)C)-c2cncn2C)c1Cl

RORγt Inverse agonist 3 is a potent, selective and orally active inverse agonist of RORγ(EC50s of 0.22 μM and 0.15 μM for hRORγ and RORγt (human IL-17 cells), respectively).

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