Molecule Details
InChIKeyODUHNOOKAGMUBU-QMSIHEAASA-N
Compound Name(4S,9aR,11aR)-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-4-propyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
Canonical SMILESCCC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.02
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P18405 SRD5A1 Homo sapiens Human PF02544 8.0 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.0 pIC50 TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 8.0 pIC50 TTD_MultiTarget