CHEMBL492639
SMILES | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 |
InChIKey | BVWLLEDYRCHASI-LICLKQGHSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 261.1 |
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 |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |