| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Salt-form |
| UNII | W76I6XXF06 |
| EPA CompTox | DTXSID8044670 |
| Parent Compound: | CLONIDINE |
Structure
| InChI Key | ZNIFSRGNXRYGHF-UHFFFAOYSA-N | |
|---|---|---|
| Smiles | ||
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C9H10Cl3N3 | |
| Molecular Weight | 266.56 | |
| AlogP | 2.17 | |
| Hydrogen Bond Acceptor | 1.0 | |
| Hydrogen Bond Donor | 2.0 | |
| Number of Rotational Bond | 1.0 | |
| Polar Surface Area | 36.42 | |
| Molecular species | BASE | |
| Aromatic Rings | 1.0 | |
| Heavy Atoms | 14.0 |
Bioactivity
|
Protein: Adrenergic receptor alpha-2 Description: Alpha-2A adrenergic receptor Organism : Homo sapiens P08913 ENSG00000150594 |
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Protein: Adrenergic receptor alpha-2 Description: Alpha-2B adrenergic receptor Organism : Homo sapiens P18089 ENSG00000274286 |
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Protein: Adrenergic receptor alpha-2 Description: Alpha-2C adrenergic receptor Organism : Homo sapiens P18825 ENSG00000184160 |
|
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| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | - | - | 21 | - | ||
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 100 |
Cross References
| Resources | Reference | |
|---|---|---|
| ChEBI | 3758 | |
| ChEMBL | CHEMBL1705 | |
| FDA SRS | W76I6XXF06 | |
| Guide to Pharmacology | 516 | |
| PubChem | 20179 | |
| SureChEMBL | SCHEMBL40751 | |
| ZINC | ZINC00896484 |
CONTENTS