CHEMBL477765
| SMILES | COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1 |
| InChIKey | ISSGVAQXZMSDSW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 413.2 |
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 | Rat | Dopamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.57 | 9.57 | 9.57 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.57 | 9.57 | 9.57 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 5.7 | 5.7 | 5.7 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |