NAV

Bindarit

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

Identification

Generic Name
Bindarit
DrugBank Accession Number
DB12739
Background

Bindarit has been used in trials studying the prevention and treatment of Coronary Restenosis and Diabetic Nephropathy.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 324.38
Monoisotopic: 324.147392512
Chemical Formula
C19H20N2O3
Synonyms
  • Bindarit
External IDs
  • AF 2838
  • AF-2838
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzopyrazoles
Sub Class
Indazoles
Direct Parent
Indazoles
Alternative Parents
Benzene and substituted derivatives / Pyrazoles / Heteroaromatic compounds / Monocarboxylic acids and derivatives / Dialkyl ethers / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides
show 2 more
Substituents
Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzopyrazole / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Dialkyl ether / Ether
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
JQ11LH711M
CAS number
130641-38-2
InChI Key
MTHORRSSURHQPZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)
IUPAC Name
2-[(1-benzyl-1H-indazol-3-yl)methoxy]-2-methylpropanoic acid
SMILES
CC(C)(OCC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12)C(O)=O

References

General References
Not Available
PubChem Compound
71354
PubChem Substance
347828929
ChemSpider
64454
ChEMBL
CHEMBL2107549
ZINC
ZINC000000004594

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedPreventionCoronary Artery Restenosis1
2CompletedTreatmentDiabetic Nephropathy1

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 Solubility0.0144 mg/mLALOGPS
logP3.26ALOGPS
logP3.58Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)3.76Chemaxon
pKa (Strongest Basic)0.73Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area64.35 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity102.24 m3·mol-1Chemaxon
Polarizability35.07 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-9140000000-a63665249e0a38c4a1e5
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-00di-1090000000-a4fd52ed7ce3cd5d9a4a
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-0002-0049000000-467b8774aceed12b4d58
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00di-1090000000-a4fd52ed7ce3cd5d9a4a
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0002-0049000000-467b8774aceed12b4d58
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0092000000-1a4c469f6dfe6cfc4772
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-2390000000-2bdcc482d2e013a9342f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-059i-1193000000-ced3cd0e44391be195c6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-b167b7bd664a50a6d19a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4j-0790000000-d792d447f949a0adc715
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4j-1890000000-08ba8ec0e142c2d5b53a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-192.7263938
predicted
DarkChem Lite v0.1.0
[M-H]-170.52194
predicted
DeepCCS 1.0 (2019)
[M+H]+192.9380938
predicted
DarkChem Lite v0.1.0
[M+H]+172.87993
predicted
DeepCCS 1.0 (2019)
[M+Na]+192.6106938
predicted
DarkChem Lite v0.1.0
[M+Na]+178.97307
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:57 / Updated at February 21, 2021 18:53