Molecule Details
InChIKeyVWNKOTRIVOSAHS-PAJIOFOTSA-N
Compound Name(1S,9aR,11aS)-9a,11a-dimethyl-1-(piperazine-1-carbonyl)-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one
Canonical SMILESC[C@]12CCC(=O)C=C1NCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)N1CCNCC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.48
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 7.5 pIC50 TTD_MultiTarget
P31213 SRD5A2 Homo sapiens Human PF02544 7.5 IC50 ChEMBL
P31639 SLC5A2 Homo sapiens Human PF00474 7.5 pIC50 TTD_MultiTarget