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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Pipemidic acid
Accession Number
DB13823
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • acido pipemidico
  • Pipemidic acid
External IDs
J01MB04
Categories
UNII
LT12J5HVR8
CAS number
51940-44-4
Weight
Average: 303.3165
Monoisotopic: 303.133139435
Chemical Formula
C14H17N5O3
InChI Key
JOHZPMXAZQZXHR-UHFFFAOYSA-N
InChI
InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
IUPAC Name
8-ethyl-5-oxo-2-(piperazin-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)N1CCNCC1

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

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

    Learn more
  • Severity
    Severity

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

    Learn more
  • Evidence Level
    Evidence Level

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

    Learn more
  • Action
    Action

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

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0041989
ChemSpider
4665
ChEBI
75250
ChEMBL
CHEMBL30116
Wikipedia
Pipemidic_acid
ATC Codes
J01MB04 — Pipemidic acid

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 Solubility0.746 mg/mLALOGPS
logP-1.5ALOGPS
logP-1.8ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)5.31ChemAxon
pKa (Strongest Basic)8.57ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area98.66 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity82.18 m3·mol-1ChemAxon
Polarizability30.94 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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-QFT , positiveLC-MS/MSsplash10-0udi-0009000000-f346d0fa8518f6309a43
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0uxr-0069000000-ffff1a7a9577a098fda0
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0gb9-0294000000-545852783e7d4b0ad314
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-014r-0592000000-b4be933137c73df3a355
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-00kr-0950000000-28374d85a72be7c7b33e
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-01pa-1920000000-a1ae9ea00fc1f7248971

Taxonomy

Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
N-arylpiperazines
Alternative Parents
Pyrido[2,3-d]pyrimidines / Pyridinecarboxylic acids / Dialkylarylamines / Aminopyrimidines and derivatives / Vinylogous amides / Heteroaromatic compounds / Amino acids / Monocarboxylic acids and derivatives / Dialkylamines / Carboxylic acids
show 5 more
Substituents
N-arylpiperazine / Pyrido[2,3-d]pyrimidine / Pyridopyrimidine / Pyridine carboxylic acid / Pyridine carboxylic acid or derivatives / Dialkylarylamine / Aminopyrimidine / Pyridine / Pyrimidine / Heteroaromatic compound
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
N-arylpiperazine, monocarboxylic acid, amino acid, quinolone antibiotic, pyridopyrimidine (CHEBI:75250)

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
References
  1. Gabriel L, Tod M, Goutelle S: Quantitative Prediction of Drug Interactions Caused by CYP1A2 Inhibitors and Inducers. Clin Pharmacokinet. 2016 Aug;55(8):977-90. doi: 10.1007/s40262-016-0371-x. [PubMed:26936044]
  2. Bertil F. Fredholm (2011). Handbook of Experimental Pharmacology, Volume 200. Springer.

Drug created on June 23, 2017 14:49 / Updated on September 02, 2019 20:07