Veledimex

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

Identification

Generic Name
Veledimex
DrugBank Accession Number
DB12170
Background

Veledimex has been used in trials studying the treatment of Glioblastoma Multiforme, Metastatic Breast Cancer, and Anaplastic Oligoastrocytoma.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 438.612
Monoisotopic: 438.288243092
Chemical Formula
C27H38N2O3
Synonyms
  • Veledimex
External IDs
  • Inxn 1001
  • RG-115932

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
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Benzoic acids and derivatives
Alternative Parents
m-Xylenes / Phenoxy compounds / Methoxybenzenes / Benzoyl derivatives / Anisoles / Alkyl aryl ethers / Carboxylic acid hydrazides / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Anisole / Aromatic homomonocyclic compound / Benzoic acid or derivatives / Benzoyl / Carboxylic acid derivative / Carboxylic acid hydrazide / Ether / Hydrocarbon derivative / M-xylene
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
ASU841TV0X
CAS number
1093130-72-3
InChI Key
LZWZPGLVHLSWQX-XMMPIXPASA-N
InChI
InChI=1S/C27H38N2O3/c1-9-12-24(27(5,6)7)29(26(31)20-16-18(3)15-19(4)17-20)28-25(30)22-13-11-14-23(32-8)21(22)10-2/h11,13-17,24H,9-10,12H2,1-8H3,(H,28,30)/t24-/m1/s1
IUPAC Name
N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylhexan-3-yl]-2-ethyl-3-methoxybenzohydrazide
SMILES
CCC[C@@H](N(NC(=O)C1=CC=CC(OC)=C1CC)C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C

References

General References
Not Available
PubChem Compound
57751161
PubChem Substance
347828459
ChemSpider
30843807
ChEMBL
CHEMBL3039523

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHigh Grade Glioma: Glioblastoma (GBM)1
1CompletedTreatmentAnaplastic Oligo-astrocytoma (AOA) / Glioblastoma Multiforme (GBM)1
1CompletedTreatmentHigh Grade Glioma: Glioblastoma (GBM)2
1CompletedTreatmentMelanoma1
1, 2CompletedTreatmentMelanoma1

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 Solubility0.000501 mg/mLALOGPS
logP5.5ALOGPS
logP7.15Chemaxon
logS-5.9ALOGPS
pKa (Strongest Acidic)9.87Chemaxon
pKa (Strongest Basic)-2.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area58.64 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity131.44 m3·mol-1Chemaxon
Polarizability50.86 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-001i-2900200000-b21dbf72d234cc6dc075
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0262900000-9ca45cf304dab6b65211
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-1900000000-68106519f299f662157f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pbl-0898500000-482cabadbf5df5c6391a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-4902000000-e08cd3dc849c6df2df03
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4m-3619000000-40e450b66281d8102950
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]-217.6245524
predicted
DarkChem Lite v0.1.0
[M-H]-207.63538
predicted
DeepCCS 1.0 (2019)
[M+H]+217.2446524
predicted
DarkChem Lite v0.1.0
[M+H]+210.03093
predicted
DeepCCS 1.0 (2019)
[M+Na]+216.8989524
predicted
DarkChem Lite v0.1.0
[M+Na]+215.94347
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:32 / Updated at February 21, 2021 18:53