NAV

Piromidic acid

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

Identification

Generic Name
Piromidic acid
DrugBank Accession Number
DB13744
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 288.307
Monoisotopic: 288.122240391
Chemical Formula
C14H16N4O3
Synonyms
  • Piromidic acid
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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.
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AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with Piromidic acid.
AdenosineThe risk or severity of QTc prolongation can be increased when Piromidic acid is combined with Adenosine.
AjmalineThe risk or severity of QTc prolongation can be increased when Ajmaline is combined with Piromidic acid.
AlfuzosinThe risk or severity of QTc prolongation can be increased when Alfuzosin is combined with Piromidic acid.
AlimemazineThe risk or severity of QTc prolongation can be increased when Alimemazine is combined with Piromidic acid.
Food Interactions
Not Available

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Categories

ATC Codes
J01MB03 — Piromidic acid
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridopyrimidines
Sub Class
Pyrido[2,3-d]pyrimidines
Direct Parent
Pyrido[2,3-d]pyrimidines
Alternative Parents
Pyridinecarboxylic acids / Dialkylarylamines / Aminopyrimidines and derivatives / Vinylogous amides / Pyrrolidines / Heteroaromatic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Carboxylic acid / Carboxylic acid derivative / Dialkylarylamine / Heteroaromatic compound / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic nitrogen compound
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3I12WH4EWF
CAS number
19562-30-2
InChI Key
RCIMBBZXSXFZBV-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)
IUPAC Name
8-ethyl-5-oxo-2-(pyrrolidin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILES
CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCCC1

References

General References
Not Available
ChemSpider
4689
ChEBI
32019
ChEMBL
CHEMBL311350
ZINC
ZINC000000057461
Wikipedia
Piromidic_acid

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
Not AvailableCompletedTreatmentCirrhosis of the Liver1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.21 mg/mLALOGPS
logP0.42ALOGPS
logP1.59Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)5.61Chemaxon
pKa (Strongest Basic)3.03Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area86.63 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity78.97 m3·mol-1Chemaxon
Polarizability29.78 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/MSsplash10-0079-0090000000-b8fa81dc4cac087d10fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-0090000000-b676cae4ffa8edd271e8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-85d5b9b491d29fe509cd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03xr-0090000000-bc50c7a67405ac7b7d7c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0303-0090000000-d7f034be5cff3c859d5d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-0290000000-947d945ed30148cb4a66
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]-179.8886853
predicted
DarkChem Lite v0.1.0
[M-H]-163.29443
predicted
DeepCCS 1.0 (2019)
[M+H]+180.4977853
predicted
DarkChem Lite v0.1.0
[M+H]+165.65245
predicted
DeepCCS 1.0 (2019)
[M+Na]+180.0962853
predicted
DarkChem Lite v0.1.0
[M+Na]+172.1727
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54