This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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Identification
- Summary
Clebopride is a dopamine antagonist used to treat symptoms associated with functional gastrointestinal disorders. Clebopride may also be used to treat nausea and vomiting associated with chemotherapy.
- Generic Name
- Clebopride
- DrugBank Accession Number
- DB13511
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Clebopride (DB13511)
- Weight
- Average: 373.88
Monoisotopic: 373.1557047 - Chemical Formula
- C20H24ClN3O2
- Synonyms
- Cleboprida
- Clebopride
- External IDs
- LAS 9273
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Symptomatic treatment of Functional dyspepsia •••••••••••• Treatment of Gastrointestinal disorder •••••••••••• •••••• Symptomatic treatment of Nausea and vomiting •••••••••••• - Contraindications & Blackbox Warnings
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
Target Actions Organism AD(2) dopamine receptor inhibitorHumans AAcetylcholinesterase inhibitorHumans - 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 softwareApomorphine The therapeutic efficacy of Apomorphine can be decreased when used in combination with Clebopride. Aripiprazole The therapeutic efficacy of Aripiprazole can be decreased when used in combination with Clebopride. Benzatropine The risk or severity of adverse effects can be increased when Clebopride is combined with Benzatropine. Brexpiprazole The therapeutic efficacy of Brexpiprazole can be decreased when used in combination with Clebopride. Bromocriptine The therapeutic efficacy of Bromocriptine can be decreased when used in combination with Clebopride. - Food Interactions
- Not Available
Products
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Categories
- ATC Codes
- A03FA06 — Clebopride
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Benzylpiperidines
- Direct Parent
- N-benzylpiperidines
- Alternative Parents
- Aminophenyl ethers / Methoxyanilines / Phenylmethylamines / Phenoxy compounds / Anisoles / Methoxybenzenes / Benzylamines / Alkyl aryl ethers / Aralkylamines / Chlorobenzenes show 9 more
- Substituents
- Alkyl aryl ether / Amine / Aminophenyl ether / Aniline or substituted anilines / Anisole / Aralkylamine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle show 27 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- I0A84520Y9
- CAS number
- 55905-53-8
- InChI Key
- BVPWJMCABCPUQY-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
- IUPAC Name
- 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
- SMILES
- COC1=CC(N)=C(Cl)C=C1C(=O)NC1CCN(CC2=CC=CC=C2)CC1
References
- General References
- External Links
- ChemSpider
- 2678
- BindingDB
- 50132693
- 21224
- ChEBI
- 92309
- ChEMBL
- CHEMBL325109
- ZINC
- ZINC000000608261
- Wikipedia
- Clebopride
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet, film coated Oral Tablet Oral Capsule Oral Emulsion Oral Solution Oral 6.250 mg Tablet Oral 500 mcg Injection, solution Intramuscular; Intravenous 1 MG/2ML Syrup Oral 0.5 MG/5ML Tablet Oral 0.5 MG - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0198 mg/mL ALOGPS logP 2.69 ALOGPS logP 2.42 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 14.61 Chemaxon pKa (Strongest Basic) 8.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 67.59 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 106.07 m3·mol-1 Chemaxon Polarizability 39.81 Å3 Chemaxon Number of Rings 3 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0009000000-ab5c55bf9fc62a54ae2a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0209000000-0d6866e219bc706e9035 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0uk9-0409000000-c6365e56f2a78b27944f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9522000000-48cac518944f434515ff Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00dr-2419000000-92834ba2531376c09cf0 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-7495000000-13687544847a88f8cdc1 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]- 186.00618 predictedDeepCCS 1.0 (2019) [M+H]+ 188.56299 predictedDeepCCS 1.0 (2019) [M+Na]+ 196.18745 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Dopamine receptor whose activity is mediated by G proteins which inhibit adenylyl cyclase (PubMed:21645528). Positively regulates postnatal regression of retinal hyaloid vessels via suppression of VEGFR2/KDR activity, downstream of OPN5 (By similarity)
- Specific Function
- dopamine binding
- Gene Name
- DRD2
- Uniprot ID
- P14416
- Uniprot Name
- D(2) dopamine receptor
- Molecular Weight
- 50618.91 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Hydrolyzes rapidly the acetylcholine neurotransmitter released into the synaptic cleft allowing to terminate the signal transduction at the neuromuscular junction. Role in neuronal apoptosis
- Specific Function
- acetylcholine binding
- Gene Name
- ACHE
- Uniprot ID
- P22303
- Uniprot Name
- Acetylcholinesterase
- Molecular Weight
- 67795.525 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at June 23, 2017 20:43 / Updated at August 26, 2024 19:22