Pivagabine

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

Identification

Name
Pivagabine
Accession Number
DB12951
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
CXB-722 / CXB722
Categories
UNII
C53SV0WO4V
CAS number
69542-93-4
Weight
Average: 187.239
Monoisotopic: 187.120843411
Chemical Formula
C9H17NO3
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-[(1-hydroxy-2,2-dimethylpropylidene)amino]butanoic acid
SMILES
CC(C)(C)C(O)=NCCCC(O)=O

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
VemurafenibThe risk or severity of QTc prolongation can be increased when Vemurafenib is combined with Pivagabine.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
68888
PubChem Substance
347829093
ChemSpider
62118
ChEBI
134834
ChEMBL
CHEMBL1870796
ATC Codes
N06AX15 — Pivagabine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentFeeling Anxious / Stress1

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 Solubility1.18 mg/mLALOGPS
logP0.93ALOGPS
logP0.59ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)4.13ChemAxon
pKa (Strongest Basic)6.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area69.89 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity49.13 m3·mol-1ChemAxon
Polarizability20.66 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/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

Taxonomy

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
Gamma amino acid or derivatives / Branched fatty acid / Fatty acyl / Fatty acid / Carboxamide group / Secondary carboxylic acid amide / Carboxylic acid / Monocarboxylic acid or derivatives / Organic nitrogen compound / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:33 / Updated on December 01, 2017 16:35