Veledimex
Star0
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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- 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 57751161
- PubChem Substance
- 347828459
- ChemSpider
- 30843807
- ChEMBL
- CHEMBL3039523
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment High Grade Glioma: Glioblastoma (GBM) 1 1 Completed Treatment Anaplastic Oligo-astrocytoma (AOA) / Glioblastoma Multiforme (GBM) 1 1 Completed Treatment High Grade Glioma: Glioblastoma (GBM) 2 1 Completed Treatment Melanoma 1 1, 2 Completed Treatment Melanoma 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
Property Value Source Water Solubility 0.000501 mg/mL ALOGPS logP 5.5 ALOGPS logP 7.15 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 9.87 Chemaxon pKa (Strongest Basic) -2.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 58.64 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 131.44 m3·mol-1 Chemaxon Polarizability 50.86 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-2900200000-b21dbf72d234cc6dc075 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0262900000-9ca45cf304dab6b65211 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-1900000000-68106519f299f662157f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0pbl-0898500000-482cabadbf5df5c6391a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a59-4902000000-e08cd3dc849c6df2df03 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4m-3619000000-40e450b66281d8102950 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 217.6245524 predictedDarkChem Lite v0.1.0 [M-H]- 207.63538 predictedDeepCCS 1.0 (2019) [M+H]+ 217.2446524 predictedDarkChem Lite v0.1.0 [M+H]+ 210.03093 predictedDeepCCS 1.0 (2019) [M+Na]+ 216.8989524 predictedDarkChem Lite v0.1.0 [M+Na]+ 215.94347 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:32 / Updated at February 21, 2021 18:53