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
Structure for Declopramide (DB06421)
- Weight
- Average: 269.77
Monoisotopic: 269.12949 - Chemical Formula
- C13H20ClN3O
- Synonyms
- Declopramide
Pharmacology
- Indication
Investigated for use/treatment in colorectal cancer and inflammatory bowel disease.
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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.
Target Actions Organism UDNA Not Available Humans UDNA topoisomerase 2-alpha Not Available Humans UDNA topoisomerase 2-beta Not Available Humans - 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.
Drug Interaction Integrate drug-drug
interactions in your softwareSulpiride The 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
- External Links
- ChemSpider
- 63363
- ChEMBL
- CHEMBL1618378
- ZINC
- ZINC000001546399
Clinical Trials
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
Property Value Source Water Solubility 0.768 mg/mL ALOGPS logP 1.94 ALOGPS logP 1.55 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 15.34 Chemaxon pKa (Strongest Basic) 9.04 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.36 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 77.05 m3·mol-1 Chemaxon Polarizability 29.9 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4i-9410000000-e7bceb3b7a9319edea37 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00dj-0890000000-b722928c54eddd89d277 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-1190000000-bae2cc7d7ab80403eb27 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0f6t-2910000000-19c1bec7222b327531b7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03yi-7950000000-a3fd3c888d39948c5733 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0kmi-1900000000-8dd78aac842883cdf7c1 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-005c-9710000000-b111eed736aa846110e5 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]- 162.85669 predictedDeepCCS 1.0 (2019) [M+H]+ 165.2147 predictedDeepCCS 1.0 (2019) [M+Na]+ 171.30797 predictedDeepCCS 1.0 (2019)
Targets
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Unknown
- 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
- 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