Molecule Details
InChIKeyKQVMMYGAEIWJBI-TVQLATCDSA-N
Compound Name(2S,15S,16S)-N,N-diethyl-2,9,16-trimethyl-6-oxo-9-azapentacyclo[9.7.0.02,8.03,5.012,16]octadec-7-ene-15-carboxamide
Canonical SMILESCCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)C5CC5[C@]4(C)C3CC[C@@]21C
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.3
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 8.3 pIC50 TTD_MultiTarget
P31213 SRD5A2 Homo sapiens Human PF02544 8.3 IC50 ChEMBL;BindingDB
P31639 SLC5A2 Homo sapiens Human PF00474 8.3 pIC50 TTD_MultiTarget