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
Oxolinic acid
Accession Number
DB13627
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • ácido oxolínico
  • Oxolinic acid
External IDs
NSC-110364 / W 4565 / W-4565
Categories
UNII
L0A22B22FT
CAS number
14698-29-4
Weight
Average: 261.2301
Monoisotopic: 261.063722467
Chemical Formula
C13H11NO5
InChI Key
KYGZCKSPAKDVKC-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
IUPAC Name
5-ethyl-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILES
CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12

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.
DrugInteraction
(R)-warfarinThe therapeutic efficacy of (R)-warfarin can be increased when used in combination with Oxolinic acid.
(S)-WarfarinThe therapeutic efficacy of (S)-Warfarin can be increased when used in combination with Oxolinic acid.
2,4-thiazolidinedioneThe therapeutic efficacy of 2,4-thiazolidinedione can be increased when used in combination with Oxolinic acid.
3-isobutyl-1-methyl-7H-xanthineThe metabolism of 3-isobutyl-1-methyl-7H-xanthine can be decreased when combined with Oxolinic acid.
4-hydroxycoumarinThe therapeutic efficacy of 4-hydroxycoumarin can be increased when used in combination with Oxolinic acid.
6-O-benzylguanineThe metabolism of 6-O-benzylguanine can be decreased when combined with Oxolinic acid.
7-DeazaguanineThe metabolism of 7-Deazaguanine can be decreased when combined with Oxolinic acid.
7,9-DimethylguanineThe metabolism of 7,9-Dimethylguanine can be decreased when combined with Oxolinic acid.
8-azaguanineThe metabolism of 8-azaguanine can be decreased when combined with Oxolinic acid.
8-chlorotheophyllineThe metabolism of 8-chlorotheophylline can be decreased when combined with Oxolinic acid.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D02301
KEGG Compound
C11342
ChemSpider
4467
ChEBI
138856
ChEMBL
CHEMBL416755
HET
OXI
Wikipedia
Oxolinic_acid
ATC Codes
J01MB05 — Oxolinic acid
PDB Entries
1kse

Clinical Trials

Clinical Trials
Not Available

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 Solubility1.91 mg/mLALOGPS
logP0.86ALOGPS
logP1.35ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)5.58ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area76.07 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity65.84 m3·mol-1ChemAxon
Polarizability25.52 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/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
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03di-0090000000-42a1a31f158e9bef1a7d
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03di-0790000000-0196f4b3fe02d848ac04
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03di-0920000000-8df3687ee0c2e91f987f
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03di-0090000000-24298432855bfc523660
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03di-0090000000-0511184317d1b6d18d3f
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03di-0090000000-95faf056ba91e8007c9b
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03dl-0290000000-db6274d8128c051d14b8
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03e9-0960000000-c51deba0c41087d2cab2
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03e9-0910000000-bb9589ba074c27740963
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0ho0-4900000000-a825bf27d8d3c0aee71f
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-02di-9500000000-bccf49f73f4aeba1dfa3
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-004i-9100000000-55f0b933bb95b8ac1a52

Taxonomy

Description
This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Quinoline carboxylic acids
Direct Parent
Quinoline carboxylic acids
Alternative Parents
Hydroquinolones / Hydroquinolines / Pyridinecarboxylic acids / Benzodioxoles / Benzenoids / Vinylogous amides / Heteroaromatic compounds / Acetals / Azacyclic compounds / Oxacyclic compounds
show 6 more
Substituents
Quinoline-3-carboxylic acid / Dihydroquinolone / Dihydroquinoline / Benzodioxole / Pyridine carboxylic acid / Pyridine carboxylic acid or derivatives / Pyridine / Benzenoid / Vinylogous amide / Heteroaromatic compound
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
organic heterotricyclic compound, oxacycle, quinolone antibiotic, quinolinemonocarboxylic acid, aromatic carboxylic acid (CHEBI:138856) / Quinone fungicides (C11342)

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Inhibitor
General Function
Oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
Gene Name
CYP1A2
Uniprot ID
P05177
Uniprot Name
Cytochrome P450 1A2
Molecular Weight
58293.76 Da

Drug created on June 23, 2017 14:45 / Updated on September 02, 2019 20:04