CHEMBL78190
SMILES | COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C |
InChIKey | QELYRGGNEIAOKD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 259.2 |
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 |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.41 | 7.41 | 7.41 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |