CHEMBL4597877
| SMILES | CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(Cl)ccc1OC |
| InChIKey | RJZDQOPJWQCJET-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 470.2 |
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 |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |