CHEMBL4583596
| SMILES | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(C#N)cc2)c2ccc(Cl)cc2Cl)CC1 |
| InChIKey | LWBLFKWXBXEZMX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 566.2 |
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 | 7.92 | 7.92 | 7.92 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.82 | 6.93 | 7.03 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |