CHEMBL558838
| SMILES | COc1ccccc1N1CCN(Cc2c(C)[nH]c3nc(N(C)C)ncc23)CC1 |
| InChIKey | ADAZZWTYEBRRHE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 380.2 |
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 | 8.19 | 8.19 | 8.19 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.54 | 5.56 | 5.59 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.54 | 5.56 | 5.58 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.21 | 5.21 | 5.21 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.21 | 5.21 | 5.21 | ChEMBL |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.17 | 5.17 | 5.17 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |