Molecule Details
InChIKeyHUYMZYOBXNGSJR-VQWWMEOXSA-N
Compound Name(1S,9aR,11aS)-N,N-diethyl-5-hexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide
Canonical SMILESCCCCCCN1CC2C(CC[C@@]3(C)C2CC[C@@H]3C(=O)N(CC)CC)[C@@]2(C)CCC(=O)C=C12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.92
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 7.9 pIC50 TTD_MultiTarget
P31213 SRD5A2 Homo sapiens Human PF02544 7.9 IC50 ChEMBL;BindingDB
P31639 SLC5A2 Homo sapiens Human PF00474 7.9 pIC50 TTD_MultiTarget