CLONIDINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: Salt
UNII: W76I6XXF06
Parent Compound: CLONIDINE

Structure
InChI Key ZNIFSRGNXRYGHF-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Adrenergic receptor alpha-2 agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.8253
Enzyme Transferase
- - - - 8.54
Enzyme
- - - - 0.8253
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -13.58--4.87
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 5.96
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - - 11.25
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - 0.71
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
5.259 - - 20.89-163.03 102.53
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 0.08
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 6953.44 13.07
Membrane receptor
5.259 - - 20.89-163.03 0.08
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - - 20.84
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 73

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials

Related Entries

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
13.75
General disorders and administration site conditions
13.18
Psychiatric disorders
10.97
Vascular disorders
9.93
Injury, poisoning and procedural complications
9.09
Cardiac disorders
7.93
Respiratory, thoracic and mediastinal disorders
5.11
Gastrointestinal disorders
4.87
Investigations
4.6
Skin and subcutaneous tissue disorders
3.22
Musculoskeletal and connective tissue disorders
2.63
Metabolism and nutrition disorders
2.63
Renal and urinary disorders
2.31

Cross References

Resources Reference
ChEBI 3758
ChEMBL CHEMBL1705
EPA CompTox DTXSID8044670
FDA SRS W76I6XXF06
Guide to Pharmacology 516
PubChem 50986872
SureChEMBL SCHEMBL40751
ZINC ZINC00896484
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