Chembl561123
Chemical Properties
| SMILES | Cn1c(N2CCOCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O |
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight | 408.2 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | BPXOVNRRDFBZBM-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.96 | 6.05 | 6.14 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 4.96 | 5.05 | 5.14 | PDSP KiDatabase |
| D3 | DRD3 | Human | Dopamine | A | pKi | 4.57 | 4.57 | 4.57 | PDSP KiDatabase |