Name: OP-3633
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672760
Cas No:2102494-14-2
常用名:OP-3633
IUPAC:(1S,3aS,3bS,9aR,9bR,10S,11aS)-10-[4-(dimethylamino)phenyl]-1-hydroxy-9a,11a-dimethyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aS,3bS,9aR,9bR,10S,11aS)-10-[4-(dimethylamino)phenyl]-1-hydroxy-9a,11a-dimethyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:LJUSMSPTDKGAFT-LMNHVJTASA-N

分子式:C30H39NO2
分子量:445.647
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:5.882572
SMILES:[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:31|
SMILES:[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:31|

OP-3633 is an effective and selective steroidal glucocorticoid receptor (GR) antagonist (IC50: 29 nM). OP-3633 shows low progesterone receptor (PR) agonism and androgen receptor (AR) antagonism. It also has an inhibition of GR transcriptional activity.

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