Molecule Details
InChIKeyAVSCJIDSYOHITA-WDWPAEOMSA-N
Compound Name(4aR,10bR)-8-((E)-2-Isoquinolin-4-yl-vinyl)-4,10b-dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
Canonical SMILESCN1C(=O)CC[C@]2(C)c3ccc(/C=C/c4cncc5ccccc45)cc3CC[C@@H]12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.2
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P18405 SRD5A1 Homo sapiens Human PF02544 7.2 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.2 pIC50 TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 7.2 pIC50 TTD_MultiTarget