CHEMBL4597188
| SMILES | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl |
| InChIKey | KFWJKLDOLDILRK-NOZRDPDXSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 482.2 |
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 | 6.11 | 6.11 | 6.11 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.94 | 5.94 | 5.94 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 5.45 | 5.45 | 5.45 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |