CHEMBL3335555
| SMILES | Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |
| InChIKey | PSDFKKSPYSFZKR-LJQANCHMSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 297.2 |
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 |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D4 | DRD4 | Human | Dopamine | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.09 | 5.09 | 5.09 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 4.78 | 4.78 | 4.78 | ChEMBL |