NAV

Zolimidine

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

Identification

Generic Name
Zolimidine
DrugBank Accession Number
DB13593
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 272.32
Monoisotopic: 272.061948808
Chemical Formula
C14H12N2O2S
Synonyms
  • Zolimidine
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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
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

Categories

ATC Codes
A02BX10 — Zolimidine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Imidazopyridines / Imidazo[1,2-a]pyridines / Benzenesulfonyl compounds / Pyridines and derivatives / N-substituted imidazoles / Sulfones / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds
show 2 more
Substituents
4-phenylimidazole / 5-phenylimidazole / Aromatic heteropolycyclic compound / Azacycle / Benzenesulfonyl group / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Imidazo[1,2-a]pyridine / Imidazopyridine
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YCF001N8QB
CAS number
1222-57-7
InChI Key
VSLIUWLPFRVCDL-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3
IUPAC Name
2-(4-methanesulfonylphenyl)imidazo[1,2-a]pyridine
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C1=CN2C=CC=CC2=N1

References

General References
Not Available
ChemSpider
13985
ChEBI
135125
ChEMBL
CHEMBL2105534
ZINC
ZINC000000002261
Wikipedia
Zolimidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0187 mg/mLALOGPS
logP2.43ALOGPS
logP1.63Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)19.68Chemaxon
pKa (Strongest Basic)5.64Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area51.44 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity74.7 m3·mol-1Chemaxon
Polarizability28.78 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-00di-0090000000-8e57ff880db50c52d904
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-5b72057cc96f687ffa53
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-84156cecf1b15dbc12a7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-b4175b2b9681d7fa2b5a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-1940000000-36b5349d608ec2b55910
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-2920000000-25a201e4a2b111645027
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]-174.6364226
predicted
DarkChem Lite v0.1.0
[M-H]-157.29692
predicted
DeepCCS 1.0 (2019)
[M+H]+175.2057226
predicted
DarkChem Lite v0.1.0
[M+H]+159.69249
predicted
DeepCCS 1.0 (2019)
[M+Na]+165.62177
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54