Molecule Details
InChIKeySAJDFWWOBZTXQE-VEXBAJMUSA-N
Compound Name(1S,9aR,11aS)-N-[2-(4-tert-butylphenyl)-5-(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide
Canonical SMILESCC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2NC(=O)[C@H]2CCC3C4CNC5=CC(=O)CC[C@]5(C)C4CC[C@@]32C)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL9.3
SourceChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 9.3 pIC50 TTD_MultiTarget
P31213 SRD5A2 Homo sapiens Human PF02544 9.3 IC50 ChEMBL
P31639 SLC5A2 Homo sapiens Human PF00474 9.3 pIC50 TTD_MultiTarget