NAV

Declopramide

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

Identification

Generic Name
Declopramide
DrugBank Accession Number
DB06421
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 269.77
Monoisotopic: 269.12949
Chemical Formula
C13H20ClN3O
Synonyms
  • Declopramide
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Pharmacology

Indication

Investigated for use/treatment in colorectal cancer and inflammatory bowel disease.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

Declopramide is a member of the N-substituted benzamide class of DNA repair inhibitors. There are two possible mechanisms of action of declopramide, with one involving (nuclear localizing factor kappaB) NFkB and the other involving the activation of the caspase cascade via the mitochondrial pathway, both of which lead to cell death (apoptosis). Declopramide may also increase the susceptibility of cancer cells to traditional radiation and/or chemotherapy treatment. It is proposed that G2/M cell cycle block is induced by pathways other than the protein 53 (p53) pathway.

TargetActionsOrganism
UDNANot AvailableHumans
UDNA topoisomerase 2-alphaNot AvailableHumans
UDNA topoisomerase 2-betaNot AvailableHumans
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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SulpirideThe risk or severity of adverse effects can be increased when Declopramide is combined with Sulpiride.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Aminobenzamides
Alternative Parents
3-halobenzoic acids and derivatives / Benzamides / Benzoyl derivatives / Aniline and substituted anilines / Chlorobenzenes / Aryl chlorides / Trialkylamines / Secondary carboxylic acid amides / Amino acids and derivatives / Primary amines
show 5 more
Substituents
3-halobenzoic acid or derivatives / Amine / Amino acid or derivatives / Aminobenzamide / Aniline or substituted anilines / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Benzamide / Benzoyl
show 18 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
916GJF577D
CAS number
891-60-1
InChI Key
YEYAKZXEBSVURO-UHFFFAOYSA-N
InChI
InChI=1S/C13H20ClN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)
IUPAC Name
4-amino-3-chloro-N-[2-(diethylamino)ethyl]benzamide
SMILES
CCN(CC)CCNC(=O)C1=CC=C(N)C(Cl)=C1

References

General References
  1. Olsson AR, Lindgren H, Pero RW, Leanderson T: Mechanism of action for N-substituted benzamide-induced apoptosis. Br J Cancer. 2002 Mar 18;86(6):971-8. [Article]
  2. Link [Link]
ChemSpider
63363
ChEMBL
CHEMBL1618378
ZINC
ZINC000001546399

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
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.768 mg/mLALOGPS
logP1.94ALOGPS
logP1.55Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)15.34Chemaxon
pKa (Strongest Basic)9.04Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area58.36 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity77.05 m3·mol-1Chemaxon
Polarizability29.9 Å3Chemaxon
Number of Rings1Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-9410000000-e7bceb3b7a9319edea37
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dj-0890000000-b722928c54eddd89d277
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1190000000-bae2cc7d7ab80403eb27
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6t-2910000000-19c1bec7222b327531b7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03yi-7950000000-a3fd3c888d39948c5733
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0kmi-1900000000-8dd78aac842883cdf7c1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-005c-9710000000-b111eed736aa846110e5
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]-162.85669
predicted
DeepCCS 1.0 (2019)
[M+H]+165.2147
predicted
DeepCCS 1.0 (2019)
[M+Na]+171.30797
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. DNA
Kind
Nucleotide
Organism
Humans
Pharmacological action
Unknown
DNA is the molecule of heredity, as it is responsible for the genetic propagation of most inherited traits. It is a polynucleic acid that carries genetic information on cell growth, division, and function. DNA consists of two long strands of nucleotides twisted into a double helix and held together by hydrogen bonds. The sequence of nucleotides determines hereditary characteristics. Each strand serves as the template for subsequent DNA replication and as a template for mRNA production, leading to protein synthesis via ribosomes.
Details2. DNA topoisomerase 2-alpha
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Ubiquitin binding
Specific Function
Control of topological states of DNA by transient breakage and subsequent rejoining of DNA strands. Topoisomerase II makes double-strand breaks. Essential during mitosis and meiosis for proper segr...
Gene Name
TOP2A
Uniprot ID
P11388
Uniprot Name
DNA topoisomerase 2-alpha
Molecular Weight
174383.88 Da
Details3. DNA topoisomerase 2-beta
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Protein kinase c binding
Specific Function
Control of topological states of DNA by transient breakage and subsequent rejoining of DNA strands. Topoisomerase II makes double-strand breaks.
Gene Name
TOP2B
Uniprot ID
Q02880
Uniprot Name
DNA topoisomerase 2-beta
Molecular Weight
183265.825 Da

Drug created at March 19, 2008 16:33 / Updated at February 21, 2021 18:52