CHEMBL493675
SMILES | CC(Oc1ccccc1/C=N/O)C1=NCCN1 |
InChIKey | JDVBCCBWSXJBJH-OVCLIPMQSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 233.1 |
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 | 6.15 | 6.15 | 6.15 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.9 | 6.9 | 6.9 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 6.3 | 6.3 | 6.3 | ChEMBL |