Molecule Details
InChIKeyYIWNIULQOQYDHI-CEJNIXRPSA-N
Compound Name(10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-1-yl-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-cyclopenta[a]phenanthren-3-one
Canonical SMILESC[C@]12CCC(=O)C=C1CCC1C2CC[C@]2(C)C(n3ccnn3)=CCC12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.04
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P05093 CYP17A1 Homo sapiens Human PF00067 7.7 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 6.7 pIC50 TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 6.7 pIC50 TTD_MultiTarget