CHEMBL50719
SMILES | c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 |
InChIKey | YEPGXJIOCYXZAI-CABCVRRESA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 258.2 |
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 | 7.39 | 7.39 | 7.39 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |