Molecule Details
InChIKeyOXSWCVXEQZIBGE-NMORCDMTSA-N
Compound Name(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carbaldehyde
Canonical SMILESC[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C=O)[C@@]3(C)CC(=O)[C@@H]12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.11
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P14867 GABRA1 Homo sapiens Human PF02931 PF02932 6.1 IC50 ChEMBL
P18507 GABRG2 Homo sapiens Human PF02931 PF02932 6.1 IC50 ChEMBL
P47870 GABRB2 Homo sapiens Human PF02931 PF02932 6.1 IC50 ChEMBL