CHEMBL2334893
| SMILES | COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3CN1CC2)OCO4 |
| InChIKey | CIEGYDLRUMZWQS-HNNXBMFYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 325.1 |
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 |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.38 | 8.38 | 8.38 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.49 | 7.5 | 7.5 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 8.09 | 8.09 | 8.09 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.04 | 7.04 | 7.04 | ChEMBL |