CHEMBL1627315
| SMILES | COc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1 |
| InChIKey | SLERETJRSLMXIG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 452.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/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 | 5.82 | 5.82 | 5.82 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.63 | 8.63 | 8.63 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.8 | 8.8 | 8.8 | ChEMBL |