Molecule Details
InChIKeyZHEDYPAJPNWWBD-IDNQLYMWSA-N
Compound NameN-[3-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl]-2-iodoacetamide
Canonical SMILESC[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CCCNC(=O)CI
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL7.74
SourceChEMBL;BindingDB;TTD_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 7.7 pIC50 TTD_MultiTarget
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 7.7 pIC50 TTD_MultiTarget