CHEMBL1928119
| SMILES | CCOCCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 |
| InChIKey | BBDKMDPFSHNKJZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 441.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | Q9TSW7 | Pig | Adrenoceptors | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
| D1 | DRD1 | Pig | Dopamine | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.57 | 6.71 | 6.85 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |