CHEMBL4442419
| SMILES | COc1ccc(N(Cc2cccc(OC)c2)NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1 |
| InChIKey | DAMZXOKWXKGWAF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 533.3 |
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 |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.82 | 6.89 | 6.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |