CHEMBL222933
SMILES | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 |
InChIKey | BTPMSDTWDTXFNP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 264.1 |
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 | 4.7 | 5.3 | 5.91 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.19 | 5.28 | 5.37 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.82 | 5.87 | 5.91 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 5.57 | 5.57 | 5.57 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 5.46 | 5.46 | 5.46 | ChEMBL |