CLONIDINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII W76I6XXF06
EPA CompTox DTXSID8044670
Parent Compound: CLONIDINE

Structure

InChI Key ZNIFSRGNXRYGHF-UHFFFAOYSA-N
Smiles Cl.Clc1cccc(Cl)c1NC1=NCCN1
InChI
InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H

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

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-2 agonist AGONIST DailyMed Wikipedia
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
- - - 20.89 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 73-99.63
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 73-99.63
Homo sapiens
- - - 20.89 -

Target Conservation

Protein: Adrenergic receptor alpha-2
Description: Alpha-2A adrenergic receptor
Organism : Homo sapiens
P08913 ENSG00000150594
Protein: Adrenergic receptor alpha-2
Description: Alpha-2B adrenergic receptor
Organism : Homo sapiens
P18089 ENSG00000274286
Protein: Adrenergic receptor alpha-2
Description: Alpha-2C adrenergic receptor
Organism : Homo sapiens
P18825 ENSG00000184160

Cross References

Resources Reference
ChEBI 3758
ChEMBL CHEMBL1705
FDA SRS W76I6XXF06
Guide to Pharmacology 516
PubChem 20179
SureChEMBL SCHEMBL40751
ZINC ZINC00896484
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