Molecule Details
InChIKeyWIHMMKGUBDZGEG-UHFFFAOYSA-N
Compound Name7-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(3-((4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)propyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
Canonical SMILESCc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)7
Pfam Stratification Homologous
Avg pChEMBL6.8
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (7)
Target Gene Organism Category Pfam pChEMBL Type Source
P35462 DRD3 Homo sapiens Human PF00001 8.8 Ki ChEMBL;BindingDB
P08173 CHRM4 Homo sapiens Human PF00001 6.8 IC50 ChEMBL
P28221 HTR1D Homo sapiens Human PF00001 6.7 Ki ChEMBL
P08172 CHRM2 Homo sapiens Human PF00001 6.5 IC50 ChEMBL
P14416 DRD2 Homo sapiens Human PF00001 6.5 Ki ChEMBL;BindingDB
P08912 CHRM5 Homo sapiens Human PF00001 6.2 IC50 ChEMBL
P35367 HRH1 Homo sapiens Human PF00001 6.1 Ki ChEMBL