CHEMBL4525362
| SMILES | C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC1CC1CCNC(=O)c1cc2ccccc2[nH]1 |
| InChIKey | JQBHQHNVJCDNEL-ZCLRBYCSSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 433.2 |
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 | 5.18 | 5.84 | 6.5 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.55 | 7.01 | 7.47 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.08 | 6.03 | 6.97 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |