CMX-2043

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
CMX-2043
Accession Number
DB12795
Type
Small Molecule
Groups
Investigational
Description

CMX-2043 has been used in trials studying the treatment and prevention of Non STEMI, Unstable Angina, Stable Coronary Artery Disease, and Percutaneous Coronary Intervention.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
83V80O4XY1
CAS number
910627-26-8
Weight
Average: 406.51
Monoisotopic: 406.123228913
Chemical Formula
C16H26N2O6S2
InChI Key
MQXRTCVZPIHBLD-TUAOUCFPSA-N
InChI
InChI=1S/C16H26N2O6S2/c1-10(16(23)24)17-15(22)12(6-7-14(20)21)18-13(19)5-3-2-4-11-8-9-25-26-11/h10-12H,2-9H2,1H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t10-,11+,12-/m0/s1
IUPAC Name
(4S)-4-{[(1S)-1-carboxyethyl]carbamoyl}-4-{5-[(3R)-1,2-dithiolan-3-yl]pentanamido}butanoic acid
SMILES
C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCCC[C@@H]1CCSS1)C(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
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
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
49802864
PubChem Substance
347828972
ChemSpider
31125664
ChEMBL
CHEMBL3099551

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedPreventionNon ST Segment Elevation Myocardial Infarction (NSTEMI) / Unstable Angina Pectoris1
2CompletedTreatmentPercutaneous Coronary Intervention / Stable Coronary Artery Disease1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0852 mg/mLALOGPS
logP1.24ALOGPS
logP0.69ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)3.5ChemAxon
pKa (Strongest Basic)-1.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area132.8 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity99.76 m3·mol-1ChemAxon
Polarizability41.75 Å3ChemAxon
Number of Rings1ChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Dipeptides
Alternative Parents
Glutamic acid and derivatives / N-acyl-L-alpha-amino acids / Lipoamides / Alpha amino acid amides / Alanine and derivatives / Heterocyclic fatty acids / N-acyl amines / Dicarboxylic acids and derivatives / 1,2-dithiolanes / Secondary carboxylic acid amides
show 6 more
Substituents
Alpha-dipeptide / Glutamic acid or derivatives / N-acyl-l-alpha-amino acid / N-acyl-alpha-amino acid / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Lipoamide / Alanine or derivatives / N-substituted-alpha-amino acid / Alpha-amino acid or derivatives
show 21 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:19 / Updated on September 02, 2019 19:47