Cinchophen
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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
- Weight
- Average: 249.269
Monoisotopic: 249.078978598 - Chemical Formula
- C16H11NO2
- Synonyms
- Cinchophen
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareBendroflumethiazide The therapeutic efficacy of Cinchophen can be decreased when used in combination with Bendroflumethiazide. Benzthiazide The therapeutic efficacy of Cinchophen can be decreased when used in combination with Benzthiazide. Chlorothiazide The therapeutic efficacy of Cinchophen can be decreased when used in combination with Chlorothiazide. Cyclopenthiazide The therapeutic efficacy of Cinchophen can be decreased when used in combination with Cyclopenthiazide. Cyclothiazide The 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
- External Links
- ChemSpider
- 8274
- BindingDB
- 50097100
- ChEBI
- 114195
- ChEMBL
- CHEMBL348000
- ZINC
- ZINC000000125047
- Wikipedia
- Cinchophen
Clinical Trials
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
Property Value Source Water Solubility 0.0355 mg/mL ALOGPS logP 3.41 ALOGPS logP 3.82 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 3.57 Chemaxon pKa (Strongest Basic) 1.26 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 50.19 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 72 m3·mol-1 Chemaxon Polarizability 26.59 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 161.6112747 predictedDarkChem Lite v0.1.0 [M-H]- 167.6821739 predictedDarkChem Lite v0.1.0 [M-H]- 155.00696 predictedDeepCCS 1.0 (2019) [M+H]+ 160.2697748 predictedDarkChem Lite v0.1.0 [M+H]+ 167.9721739 predictedDarkChem Lite v0.1.0 [M+H]+ 157.40254 predictedDeepCCS 1.0 (2019) [M+Na]+ 168.3772739 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.9830739 predictedDarkChem Lite v0.1.0 [M+Na]+ 163.4234 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54