Name: ORIC-101
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672763
Cas No:2222344-98-9
常用名:ORIC-101
IUPAC:(1S,3aS,3bR,9aR,9bS,10S,11aS)-1-(3,3-dimethylbut-1-yn-1-yl)-1-hydroxy-11a-methyl-10-{4-[methyl(propan-2-yl)amino]phenyl}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aS,3bR,9aR,9bS,10S,11aS)-1-(3,3-dimethylbut-1-yn-1-yl)-1-hydroxy-11a-methyl-10-{4-[methyl(propan-2-yl)amino]phenyl}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:VNLTWJIWEYPBIF-KMSLUKAPSA-N

分子式:C34H47NO2
分子量:501.755
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:7.3875427
SMILES:[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |c:37|
SMILES:[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |c:37|

ORIC-101 is a highly effective and selective glucocorticoid receptor antagonist (EC50: 5.6 nM). It also has anti-cancer activity.

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