CHEMBL2111526
| SMILES | COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)C2)co1 |
| InChIKey | NPLOIWFMUHLKNW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 441.1 |
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 |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 4.8 | 4.8 | 4.8 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.73 | 5.73 | 5.73 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.08 | 5.13 | 5.18 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |