CHEMBL5179459
| SMILES | Cc1nc(CN2CCC(OCc3cccc(C(F)(F)F)c3)CC2)c2ccccn12 |
| InChIKey | BZGSLTDGENGQJF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 403.2 |
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 |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.52 | 6.52 | 6.52 | ChEMBL |