CHEMBL62601
| SMILES | COc1c(-c2nc(CNC[C@@H]3CCN(Cc4ccccc4)C3)co2)cc(Br)c2ccccc12 |
| InChIKey | DRRIHRQXXFYPBU-FQEVSTJZSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 505.1 |
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 | 4.0 | 4.0 | 4.0 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 4.81 | 4.81 | 4.81 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.23 | 5.23 | 5.23 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 4.34 | 4.55 | 4.76 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |