CHEMBL32145
| SMILES | C=CCN1CCc2c(cc(O)c(O)c2Br)C(c2ccccc2)C1 |
| InChIKey | KKZGFVAZUKHFAC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 373.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | D2 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 4.68 | 6.2 | 7.72 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Rat | Dopamine | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.15 | 6.15 | 6.15 | ChEMBL |