NAV

Valpromide

Identification

Summary

Valpromide is a valproic acid derivative used to treat epilepsy and as adjunct therapy for psychomotor agitation, depression, and manic episodes of bipolar disorder.

Generic Name
Valpromide
DrugBank Accession Number
DB04165
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 143.2267
Monoisotopic: 143.131014171
Chemical Formula
C8H17NO
Synonyms
  • Valpromida
  • Valpromide
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Treatment ofBehavioural disorders••••••••••••••••••• ••••••• •••••••
Adjunct therapy in treatment ofBrain disorders•••••••••••••••••••••••••• ••••••• •••••••
Adjunct therapy in treatment ofDepression•••••••••••••••••••• ••••••
Adjunct therapy in treatment ofDepression••••••••••••••••••• ••••••• •••••••
Treatment ofEpilepsy, generalized••••••••••••••••••• ••••••• •••••••
Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
ULimonene-1,2-epoxide hydrolaseNot AvailableRhodococcus erythropolis
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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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Valpromide is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Valpromide.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Valpromide.
AgomelatineThe risk or severity of CNS depression can be increased when Valpromide is combined with Agomelatine.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Valpromide.
Food Interactions
Not Available

Products

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Categories

ATC Codes
N03AG02 — Valpromide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboximidic acids and derivatives
Sub Class
Carboximidic acids
Direct Parent
Carboximidic acids
Alternative Parents
Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Carboximidic acid / Hydrocarbon derivative / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
fatty amide (CHEBI:74562) / a small molecule (CPD-10097)
Affected organisms
Not Available

Chemical Identifiers

UNII
RUA6CWU76G
CAS number
Not Available
InChI Key
OMOMUFTZPTXCHP-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
IUPAC Name
2-propylpentanamide
SMILES
CCCC(CCC)C(N)=O

References

General References
Not Available
PubChem Compound
71113
PubChem Substance
46508099
ChemSpider
64264
RxNav
23420
ChEBI
74562
ChEMBL
CHEMBL93836
ZINC
ZINC000000002238
PDBe Ligand
VPR
Wikipedia
Valpromide
PDB Entries
1nu3 / 2cjp / 3g0i / 5aig

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule300 MG
Tablet, delayed releaseOral300 MG
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.52 mg/mLALOGPS
logP2.38ALOGPS
logP1.99Chemaxon
logS-1.6ALOGPS
pKa (Strongest Acidic)17.09Chemaxon
pKa (Strongest Basic)-1.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area43.09 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity42.07 m3·mol-1Chemaxon
Polarizability17.37 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9919
Blood Brain Barrier+0.9973
Caco-2 permeable+0.6389
P-glycoprotein substrateNon-substrate0.7936
P-glycoprotein inhibitor INon-inhibitor0.8738
P-glycoprotein inhibitor IINon-inhibitor0.8514
Renal organic cation transporterNon-inhibitor0.9161
CYP450 2C9 substrateNon-substrate0.8751
CYP450 2D6 substrateNon-substrate0.7926
CYP450 3A4 substrateNon-substrate0.6685
CYP450 1A2 substrateNon-inhibitor0.6334
CYP450 2C9 inhibitorNon-inhibitor0.8514
CYP450 2D6 inhibitorNon-inhibitor0.937
CYP450 2C19 inhibitorNon-inhibitor0.9533
CYP450 3A4 inhibitorNon-inhibitor0.9791
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8348
Ames testNon AMES toxic0.9255
CarcinogenicityNon-carcinogens0.6445
BiodegradationReady biodegradable0.6126
Rat acute toxicity2.2387 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9809
hERG inhibition (predictor II)Non-inhibitor0.883
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aov-9200000000-a50c97b461ebe7b7ecb5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-5900000000-aad54112fa6ab1fb8045
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-d5c21b8ba4f5e2d3b8fd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a5c-9000000000-fc8c803194234d179585
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-04fd1c22d592d4d25587
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-9000000000-816cf1539d2f4042c8d7
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]-135.8303719
predicted
DarkChem Lite v0.1.0
[M-H]-138.67949
predicted
DeepCCS 1.0 (2019)
[M+H]+136.3283719
predicted
DarkChem Lite v0.1.0
[M+H]+140.99065
predicted
DeepCCS 1.0 (2019)
[M+Na]+136.1327719
predicted
DarkChem Lite v0.1.0
[M+Na]+150.18541
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Limonene-1,2-epoxide hydrolase
Kind
Protein
Organism
Rhodococcus erythropolis
Pharmacological action
Unknown
General Function
Limonene-1,2-epoxide hydrolase activity
Specific Function
Catalyzes the conversion of limonene-1,2-epoxide to limonene-1,2-diol. Can use both the (-) and (+) isomers of limonene-1,2-epoxide as substrates and also has some activity with 1-methylcyclohexene...
Gene Name
limA
Uniprot ID
Q9ZAG3
Uniprot Name
Limonene-1,2-epoxide hydrolase
Molecular Weight
16520.47 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Drug created at June 13, 2005 13:24 / Updated at June 09, 2021 08:40