Molecule Details
InChIKeySSIXFSQUOYPJTM-AFTVQHQSSA-N
Compound Name(8R,9S,13S,14S,17S)-4-(hydroxymethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Canonical SMILESC[C@]12CC[C@@H]3c4ccc(O)c(CO)c4CC[C@H]3[C@@H]1CC[C@@H]2O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL7.93
SourceTTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.9 pIC50 TTD_MultiTarget
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 7.9 pIC50 TTD_MultiTarget