CHEMBL4287062
| SMILES | COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc3ccccc3c1)CC2 |
| InChIKey | BVFIHIUYFGGHND-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 404.2 |
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 |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |