CLONIDINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C02AC01 N02CX02 S01EA04
UNII MN3L5RMN02
EPA CompTox DTXSID6022846

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9Cl2N3
Molecular Weight 230.1
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(%)
Enzyme Hydrolase
- - - - 20.5
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
4.4-290 2-21 257.04 0.39-977.24 -
Other cytosolic protein
- 366.2-366.2 - 8.9-281.84 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 65.4
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 8.9 -
Homo sapiens
8.318-57.54 - - 3.8-954.99 1-65.4
Mus musculus
- - - - 0.05-0.05
Oryctolagus cuniculus
4.4-290 - - - -
Rattus norvegicus
- 366.2-366.2 - 0.39-364.5 -

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 46632
ChEMBL CHEMBL134
DrugBank DB00575
DrugCentral 704
FDA SRS MN3L5RMN02
Human Metabolome Database HMDB0014714
Guide to Pharmacology 516
PDB CLU
PharmGKB PA449051
PubChem 2803
SureChEMBL SCHEMBL5982
ZINC ZINC000000896484
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