CHEMBL75257
SMILES | COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C |
InChIKey | AZADEQYOIWOMER-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 273.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.31 | 8.31 | 8.31 | ChEMBL |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Rat | Adrenoceptors | A | pEC50 | 5.96 | 5.96 | 5.96 | ChEMBL |