CHEMBL3318847
| SMILES | CN(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)CCN(C)CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 |
| InChIKey | YFXWJWJZNPPTDW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 23 |
| Molecular weight (Da) | 946.4 |
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 | Pig | Dopamine | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.49 | 8.57 | 8.66 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |