CHEMBL373535
SMILES | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 |
InChIKey | AFWQDDUMQAQVSC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 267.1 |
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 | 6.03 | 6.03 | 6.03 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 7.3 | 7.33 | 7.4 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 6.23 | 6.41 | 6.5 | ChEMBL |