CHEMBL1852163
| SMILES | CN1CCc2cc(SC[C@H](N)C(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 |
| InChIKey | QCEAYDMNZTWNGV-LSDHHAIUSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 386.1 |
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 |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.38 | 5.38 | 5.38 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D2 | DRD2 | Rat | Dopamine | A | pEC50 | 6.68 | 6.68 | 6.68 | ChEMBL |