Molecule Details
InChIKeyXAHZNXCLIADPOW-DCRVZYSOSA-N
Compound Name(1S,9aR,11aS)-5-cyano-N,N-diethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide
Canonical SMILESCCN(CC)C(=O)[C@H]1CCC2C3CN(C#N)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.38
SourceChEMBL;BindingDB;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 7.4 pIC50 TTD_MultiTarget
P31213 SRD5A2 Homo sapiens Human PF02544 7.4 IC50 ChEMBL;BindingDB
P31639 SLC5A2 Homo sapiens Human PF00474 7.4 pIC50 TTD_MultiTarget