Molecule Details
InChIKeyXHCZHNMQNZIKSK-YJKKPMLSSA-N
Compound Name(9aR,11aS)-N-(2-benzoylphenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Canonical SMILESC[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3C(=O)c3ccccc3)CCC12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.54
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 7.5 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.5 pIC50 TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 7.5 pIC50 TTD_MultiTarget