CHEMBL468711
| SMILES | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 |
| InChIKey | JVQZWPGHLBOWKN-CQSZACIVSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 261.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |