Molecule Details
InChIKeyKSTBRFAYWXRXEX-NWSAAYAGSA-N
Compound Name2-[(8S,9S,11R,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]ethyl methanesulfonate
Canonical SMILESC[C@]12C[C@H](CCOS(C)(=O)=O)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL8.22
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 8.2 pIC50 TTD_MultiTarget
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 8.2 pIC50 TTD_MultiTarget