Molecule Details
InChIKeySJNCHOWFWAZDQC-BDDLEYSBSA-N
Compound Name(9aR,11aS)-9a,11a-dimethyl-1-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
Canonical SMILESC[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)N3CCCCc4ccccc43)CCC12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL6.67
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P31213 SRD5A2 Homo sapiens Human PF02544 8.0 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 6.2 pIC50 TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 6.2 pIC50 TTD_MultiTarget
P18405 SRD5A1 Homo sapiens Human PF02544 6.2 IC50 ChEMBL;BindingDB