NAV

Cinchophen

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

Identification

Generic Name
Cinchophen
DrugBank Accession Number
DB13551
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 249.269
Monoisotopic: 249.078978598
Chemical Formula
C16H11NO2
Synonyms
  • Cinchophen
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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.
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BendroflumethiazideThe therapeutic efficacy of Cinchophen can be decreased when used in combination with Bendroflumethiazide.
BenzthiazideThe therapeutic efficacy of Cinchophen can be decreased when used in combination with Benzthiazide.
ChlorothiazideThe therapeutic efficacy of Cinchophen can be decreased when used in combination with Chlorothiazide.
CyclopenthiazideThe therapeutic efficacy of Cinchophen can be decreased when used in combination with Cyclopenthiazide.
CyclothiazideThe therapeutic efficacy of Cinchophen can be decreased when used in combination with Cyclothiazide.
Food Interactions
Not Available

Categories

ATC Codes
M04AC02 — Cinchophen
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Phenylquinolines
Direct Parent
Phenylquinolines
Alternative Parents
Quinoline carboxylic acids / Phenylpyridines / Pyridinecarboxylic acids / Benzene and substituted derivatives / Heteroaromatic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds
show 3 more
Substituents
2-phenylpyridine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxylic acid / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Monocyclic benzene moiety
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
39Y533Z02M
CAS number
132-60-5
InChI Key
YTRMTPPVNRALON-UHFFFAOYSA-N
InChI
InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
IUPAC Name
2-phenylquinoline-4-carboxylic acid
SMILES
OC(=O)C1=CC(=NC2=CC=CC=C12)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
8274
BindingDB
50097100
ChEBI
114195
ChEMBL
CHEMBL348000
ZINC
ZINC000000125047
Wikipedia
Cinchophen

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 Solubility0.0355 mg/mLALOGPS
logP3.41ALOGPS
logP3.82Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.57Chemaxon
pKa (Strongest Basic)1.26Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area50.19 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity72 m3·mol-1Chemaxon
Polarizability26.59 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
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0udi-3790000000-31e23d03a9ff214f1d8a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-0090000000-3c22f96a316aaf584a5b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udj-0090000000-2b6ab70bcb1aec6fbf8d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-0090000000-a22e58637f1c2b5152f5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-d32be50f14100df117f1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-053r-0090000000-280809347c2367c812fe
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-47b211387917721c86a7
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]-161.6112747
predicted
DarkChem Lite v0.1.0
[M-H]-167.6821739
predicted
DarkChem Lite v0.1.0
[M-H]-155.00696
predicted
DeepCCS 1.0 (2019)
[M+H]+160.2697748
predicted
DarkChem Lite v0.1.0
[M+H]+167.9721739
predicted
DarkChem Lite v0.1.0
[M+H]+157.40254
predicted
DeepCCS 1.0 (2019)
[M+Na]+168.3772739
predicted
DarkChem Lite v0.1.0
[M+Na]+167.9830739
predicted
DarkChem Lite v0.1.0
[M+Na]+163.4234
predicted
DeepCCS 1.0 (2019)

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