CHEMBL3040157
| SMILES | CN(C)c1ccc(Cc2ccc3c4c2-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1 |
| InChIKey | YPEMPEGPBFGRNH-OAQYLSRUSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 400.2 |
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 |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.87 | 6.87 | 6.87 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Human | Dopamine | A | pEC50 | 6.13 | 6.13 | 6.13 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.76 | 6.76 | 6.76 | ChEMBL |