Chembl2152755
Chemical Properties
| SMILES | CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1 |
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight | 466.3 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | OXCQNGTWPIHFHI-FQEVSTJZSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pEC50 | 9.25 | 9.25 | 9.25 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.15 | 7.15 | 7.15 | ChEMBL |