CHEMBL294458
| SMILES | N#CC(C#N)=Cc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c[nH]1 |
| InChIKey | LGXAESURRIWEJV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 351.1 |
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 | Bovine | Dopamine | A | pKi | 5.28 | 5.28 | 5.28 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 4.99 | 5.06 | 5.13 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |