Navarixin

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
Navarixin
Accession Number
DB11711
Type
Small Molecule
Groups
Investigational
Description

Navarixin has been investigated for the treatment of Asthma.

Structure
Thumb
Synonyms
  • Navarixin anhydrous
External IDs
SCH-527123
Product Ingredients
IngredientUNIICASInChI Key
Navarixin monohydrate7V3BY6G538862464-58-2OVPWPDFETBKAQQ-UNTBIKODSA-N
Categories
UNII
4GMU5HUX5I
CAS number
473727-83-2
Weight
Average: 410.47
Monoisotopic: 410.184171945
Chemical Formula
C23H26N2O5
InChI Key
IXBYSXNOKFHHDR-QGZVFWFLSA-N
InChI
InChI=1S/C23H26N2O5/c1-5-7-17(18-11-10-13(2)30-18)24-19-16(21(27)22(19)28)12-14-8-6-9-15(20(14)26)23(29)25(3)4/h6,8-11,17,24,26H,5,7,12H2,1-4H3/t17-/m1/s1
IUPAC Name
2-hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)butyl]amino}-3,4-dioxocyclobut-1-en-1-yl)methyl]benzamide
SMILES
CCC[C@@H](NC1=C(CC2=CC=CC(C(=O)N(C)C)=C2O)C(=O)C1=O)C1=CC=C(C)O1

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
71587743
PubChem Substance
347828076
ChemSpider
32702380

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedNot AvailableChronic Obstructive Pulmonary Disease (COPD)1
2CompletedTreatmentAsthma Bronchial1
2CompletedTreatmentNeutrophilic Asthma1
2CompletedTreatmentPsoriasis1
2RecruitingTreatmentCastration Resistant Prostate Cancer (CRPC) / Lung Cancer Non-Small Cell Cancer (NSCLC) / Microsatellite Stable Colorectal Cancer / Tumors, Solid1
2TerminatedTreatmentChronic Obstructive Pulmonary Disease (COPD)2
2WithdrawnTreatmentAsthma Bronchial1

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 Solubility0.0386 mg/mLALOGPS
logP3.43ALOGPS
logP4.06ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)7.98ChemAxon
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area99.85 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity114.86 m3·mol-1ChemAxon
Polarizability43.63 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Salicylamides
Alternative Parents
Benzamides / Benzoyl derivatives / Secondary alkylarylamines / Aralkylamines / 1-hydroxy-4-unsubstituted benzenoids / Vinylogous amides / Vinylogous acids / Tertiary carboxylic acid amides / Heteroaromatic compounds / Furans
show 5 more
Substituents
Salicylamide / Benzamide / Benzoyl / 1-hydroxy-4-unsubstituted benzenoid / Aralkylamine / Phenol / Secondary aliphatic/aromatic amine / Heteroaromatic compound / Furan / Vinylogous amide
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:41 / Updated on September 02, 2019 22:06