CHEMBL2431280
| SMILES | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 |
| InChIKey | JFZSEYPHJYDMAZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 232.1 |
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 |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 5.5 | 5.5 | 5.5 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |