Clonixin

Identification

Name
Clonixin
Accession Number
DB09218
Type
Small Molecule
Groups
Experimental
Description

Clonixin is a non-steroidal anti-inflammatory drug. It also has analgesic, antipyretic, and platelet-inhibitory actions.

Structure
Thumb
Synonyms
  • clonixino
External IDs
CBA 93626 / SCH-10304
Product Ingredients
IngredientUNIICASInChI Key
Clonixin lysine06PW4M190R55837-30-4CVNFYQCHAWFYQI-ZSCHJXSPSA-N
Categories
UNII
V7DXN0M42R
CAS number
17737-65-4
Weight
Average: 262.69
Monoisotopic: 262.0509053
Chemical Formula
C13H11ClN2O2
InChI Key
CLOMYZFHNHFSIQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
IUPAC Name
2-[(3-chloro-2-methylphenyl)amino]pyridine-3-carboxylic acid
SMILES
CC1=C(NC2=C(C=CC=N2)C(O)=O)C=CC=C1Cl

Pharmacology

Indication

Used primarily in the treatment of chronic arthritic conditions and certain soft tissue disorders associated with pain and inflammation.

Pharmacodynamics

Clonixin is a non-steroidal anti-inflammatory drug (NSAID) similar in structure to Diclofenac. It produces vasodilation and analgesia.

Mechanism of action

The mechanism of clonixin does not appear to have been investigated on a molecular level. It is presumed to function similarly to other NSAIDs by inhibiting cycloxygenase enzymes 1 and 2 resulting in a reduction in prostaglandin production.

Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
  • Humans and other mammals
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of bleeding and hemorrhage can be increased when Clonixin is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding and hemorrhage can be increased when Clonixin is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Clonixin is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid.
4-hydroxycoumarinThe risk or severity of bleeding and hemorrhage can be increased when Clonixin is combined with 4-hydroxycoumarin.
AbacavirClonixin may decrease the excretion rate of Abacavir which could result in a higher serum level.
AbciximabThe risk or severity of bleeding and hemorrhage can be increased when Clonixin is combined with Abciximab.
AcarboseClonixin may decrease the excretion rate of Acarbose which could result in a higher serum level.
AcebutololClonixin may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Clonixin.
AcemetacinThe risk or severity of adverse effects can be increased when Clonixin is combined with Acemetacin.
Food Interactions
Not Available

References

General References
  1. Finch JS, DeKornfeld TJ: Clonixin: a clinical evaluation of a new oral analgesic. J Clin Pharmacol New Drugs. 1971 Sep-Oct;11(5):371-7. [PubMed:4935715]
External Links
KEGG Drug
D03555
PubChem Compound
28718
PubChem Substance
310265125
ChemSpider
26711
ChEBI
76200
ChEMBL
CHEMBL1332971
HET
6J3
Wikipedia
Clonixin
PDB Entries
5l4i / 6gnr
MSDS
Download (82.2 KB)

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0535 mg/mLALOGPS
logP3.59ALOGPS
logP3.42ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)1.88ChemAxon
pKa (Strongest Basic)5.37ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area62.22 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity69.8 m3·mol-1ChemAxon
Polarizability25.98 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-03ea-2590000000-f577010fed0b7319669b

Taxonomy

Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Pyridinecarboxylic acids and derivatives
Direct Parent
Pyridinecarboxylic acids
Alternative Parents
Aniline and substituted anilines / Toluenes / Aminopyridines and derivatives / Chlorobenzenes / Aryl chlorides / Imidolactams / Vinylogous amides / Heteroaromatic compounds / Amino acids / Secondary amines
show 8 more
Substituents
Pyridine carboxylic acid / Aniline or substituted anilines / Aminopyridine / Chlorobenzene / Toluene / Halobenzene / Aryl chloride / Aryl halide / Monocyclic benzene moiety / Imidolactam
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
organochlorine compound, aminopyridine, pyridinemonocarboxylic acid (CHEBI:76200)

Drug created on October 21, 2015 11:14 / Updated on November 02, 2018 09:14