Molecule Details
| InChIKey | XYYGFCDTBHAUSN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-Methyl-4-(4-methylsulfanyl-phenyl)-7-(3-morpholin-4-yl-propoxy)-1,2,3,4-tetrahydro-isoquinoline |
| Canonical SMILES | CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 8.3 | Ki | ChEMBL;BindingDB |
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.5 | Ki | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 7.0 | Ki | ChEMBL;BindingDB |