Molecule Details
| InChIKey | SGVJKODGLNRNLW-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropan-1-amine |
| Canonical SMILES | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 18 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.59 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (18)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 8.0 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.3 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.0 | Ki | ChEMBL |