Molecule Details
InChIKeyCECSFCKUXJBSMW-WBGRNFFASA-N
Compound Name2-adamantyl (1S,9aR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxylate
Canonical SMILESC[C@]12CCC(=O)C=C1NCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)OC1C2CC3CC(C2)CC1C3
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL8.16
SourceTTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.2 pIC50 TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 8.2 pIC50 TTD_MultiTarget