Molecule Details
| InChIKey | KCCUCFUQSYGPBH-UHFFFAOYSA-N |
|---|---|
| Compound Name | (+/-)-2-([3-((1,1-Dimethyl-2-[4-(methyloxy)phenyl]ethyl)amino)-2-hydroxypropyl]oxy)benzonitrile |
| Canonical SMILES | COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 7.7 | IC50 | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.7 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.4 | IC50 | ChEMBL;BindingDB |
| P41180 | CASR | Homo sapiens | Human | PF00003 PF01094 PF07562 | 6.8 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.5 | IC50 | ChEMBL;BindingDB |