CHEMBL209876
| SMILES | COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1 |
| InChIKey | OWMILJDHSTVDQS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 531.3 |
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 | 7.48 | 7.48 | 7.48 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.34 | 9.34 | 9.34 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.38 | 7.46 | 7.55 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.75 | 7.75 | 7.75 | ChEMBL |