Molecule Details
InChIKeyYBSFMQHCAIWRPP-OXKISYSDSA-N
Compound Name(4R,9aR,11aR)-4-ethyl-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
Canonical SMILESCC[C@H]1C=C2NC(=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 pChEMBL8.07
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 8.1 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.1 pIC50 TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 8.1 pIC50 TTD_MultiTarget