CHEMBL302374
| SMILES | O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)cc1 |
| InChIKey | UKOYDIULRIOVQF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 531.0 |
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 |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.52 | 8.71 | 8.8 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.29 | 7.37 | 7.41 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.5 | 7.5 | 7.5 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.5 | 7.5 | 7.5 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.26 | 7.26 | 7.26 | ChEMBL |