CHEMBL75030
| SMILES | c1ccc2c(c1)CCCC2NC1=NCCO1 |
| InChIKey | FXNNPMSELIMMHU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 216.1 |
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 | 8.67 | 8.67 | 8.67 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.69 | 6.79 | 6.9 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.63 | 8.63 | 8.63 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 8.45 | 8.45 | 8.45 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 8.66 | 8.66 | 8.66 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 8.93 | 8.93 | 8.93 | ChEMBL |