NAV

Pivagabine

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

Identification

Generic Name
Pivagabine
DrugBank Accession Number
DB12951
Background

Pivagabine has been used in trials studying the treatment of Stress and Anxiety.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 187.239
Monoisotopic: 187.120843411
Chemical Formula
C9H17NO3
Synonyms
  • 4-Pivalamidobutyric acid
  • Pivagabina
  • Pivagabine
  • Pivagabinum
External IDs
  • CXB-722
  • CXB722
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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.
DrugInteraction
Integrate drug-drug
interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Pivagabine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Pivagabine is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Pivagabine.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Pivagabine.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Pivagabine.
Food Interactions
Not Available

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
International/Other Brands
Tonerg

Categories

ATC Codes
N06AX15 — Pivagabine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Gamma amino acids and derivatives
Alternative Parents
Branched fatty acids / Secondary carboxylic acid amides / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic acyclic compound / Branched fatty acid / Carbonyl group / Carboxamide group / Carboxylic acid / Fatty acid / Fatty acyl / Gamma amino acid or derivatives / Hydrocarbon derivative / Monocarboxylic acid or derivatives
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
C53SV0WO4V
CAS number
69542-93-4
InChI Key
SRPNQDXRVRCTNK-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)
IUPAC Name
4-(2,2-dimethylpropanamido)butanoic acid
SMILES
CC(C)(C)C(=O)NCCCC(O)=O

References

General References
Not Available
PubChem Compound
68888
PubChem Substance
347829093
ChemSpider
62118
ChEBI
134834
ChEMBL
CHEMBL1870796
ZINC
ZINC000001545856
Wikipedia
Pivagabine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAnxiety / Stress (Psychology)1

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 Solubility4.14 mg/mLALOGPS
logP1.07ALOGPS
logP1Chemaxon
logS-1.7ALOGPS
pKa (Strongest Acidic)4.75Chemaxon
pKa (Strongest Basic)-0.86Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.4 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity48.6 m3·mol-1Chemaxon
Polarizability20.5 Å3Chemaxon
Number of Rings0Chemaxon
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/MSsplash10-0a4i-9700000000-f1a50d9b416361c2c6a0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udr-2900000000-8824b4254cb58afe5a0d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9100000000-3d1b94156b77ff1c5b5c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-7900000000-24aae2bc0d041513d488
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-6639be996df8fa563811
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-f8de47f2750d67a0ead5
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]-146.6665124
predicted
DarkChem Lite v0.1.0
[M-H]-140.4209
predicted
DeepCCS 1.0 (2019)
[M+H]+148.2719124
predicted
DarkChem Lite v0.1.0
[M+H]+144.24825
predicted
DeepCCS 1.0 (2019)
[M+Na]+147.7514124
predicted
DarkChem Lite v0.1.0
[M+Na]+153.13042
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:33 / Updated at June 28, 2022 01:51