Molecule Details
InChIKeyOKJRJJXKSVCWCZ-KJBVPOJVSA-N
Compound Name(3S,10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-1-yl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILESC[C@]12CC[C@H](O)CC1=CCC1C2CC[C@]2(C)C(n3ccnn3)=CCC12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.89
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P05093 CYP17A1 Homo sapiens Human PF00067 7.9 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 Clinical TTD_MultiTarget TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 Clinical TTD_MultiTarget TTD_MultiTarget