Molecule Details
InChIKeyXTTKPKHLVIULGC-GUFJAEFSSA-N
Compound Name(4S,9aR,11aR)-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-4-propyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
Canonical SMILESCCC[C@H]1CC2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.34
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P18405 SRD5A1 Homo sapiens Human PF02544 7.7 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.7 pIC50 TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 7.7 pIC50 TTD_MultiTarget
P31213 SRD5A2 Homo sapiens Human PF02544 6.2 IC50 ChEMBL;BindingDB