This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Ticalopride
- DrugBank Accession Number
- DB06422
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ticalopride (DB06422)
- Weight
- Average: 313.78
Monoisotopic: 313.119319228 - Chemical Formula
- C14H20ClN3O3
- Synonyms
- Norcisapride
- Ticalopride
Pharmacology
- Indication
Investigated for use/treatment in gastroesophageal reflux disease (GERD) and gastroparesis.
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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
Ticalopride is an isomer of the active metabolite of cisapride. Cisapride acts through the stimulation of the serotonin 5-HT4 receptors which increases acetylcholine release in the enteric nervous system (specifically the myenteric plexus). This results in increased tone and amplitude of gastric (especially antral) contractions, relaxation of the pyloric sphincter and the duodenal bulb, and increased peristalsis of the duodenum and jejunum resulting in accelerated gastric emptying and intestinal transit.
Target Actions Organism U5-hydroxytryptamine receptor 4 Not Available Humans U5-hydroxytryptamine receptor 3A 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 Ticalopride 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 / Aminophenyl ethers / Methoxyanilines / Benzamides / Phenoxy compounds / Methoxybenzenes / Anisoles / Benzoyl derivatives / Alkyl aryl ethers / Chlorobenzenes show 12 more
- Substituents
- 3-halobenzoic acid or derivatives / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminobenzamide / Aminophenyl ether / Aniline or substituted anilines / Anisole / Aromatic heteromonocyclic compound / Aryl chloride show 30 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- QNG273A81O
- CAS number
- 202590-69-0
- InChI Key
- OMLDMGPCWMBPAN-YPMHNXCESA-N
- InChI
- InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)/t11-,13+/m1/s1
- IUPAC Name
- 4-amino-5-chloro-2-methoxy-N-[(3S,4R)-3-methoxypiperidin-4-yl]benzamide
- SMILES
- CO[C@H]1CNCC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC
References
- General References
- Link [Link]
- External Links
- Human Metabolome Database
- HMDB0061018
- ChemSpider
- 187437
- ChEMBL
- CHEMBL2107465
- ZINC
- ZINC000000404160
Clinical Trials
- Clinical Trials
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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 0.299 mg/mL ALOGPS logP 0.5 ALOGPS logP 0.26 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 14.58 Chemaxon pKa (Strongest Basic) 9.32 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 85.61 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 82.01 m3·mol-1 Chemaxon Polarizability 32.32 Å3 Chemaxon Number of Rings 2 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 169.6790983 predictedDarkChem Lite v0.1.0 [M-H]- 173.6144 predictedDeepCCS 1.0 (2019) [M-H]- 169.6790983 predictedDarkChem Lite v0.1.0 [M-H]- 173.6144 predictedDeepCCS 1.0 (2019) [M+H]+ 170.0447983 predictedDarkChem Lite v0.1.0 [M+H]+ 175.97247 predictedDeepCCS 1.0 (2019) [M+H]+ 170.0447983 predictedDarkChem Lite v0.1.0 [M+H]+ 175.97247 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.6913983 predictedDarkChem Lite v0.1.0 [M+Na]+ 182.11859 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.6913983 predictedDarkChem Lite v0.1.0 [M+Na]+ 182.11859 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- This is one of the several different receptors for 5-hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. The activity of this receptor is mediated by G proteins that stimulate adenylate cyclase
- Specific Function
- G protein-coupled serotonin receptor activity
- Gene Name
- HTR4
- Uniprot ID
- Q13639
- Uniprot Name
- 5-hydroxytryptamine receptor 4
- Molecular Weight
- 43760.975 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Forms serotonin (5-hydroxytryptamine/5-HT3)-activated cation-selective channel complexes, which when activated cause fast, depolarizing responses in neurons
- Specific Function
- Excitatory extracellular ligand-gated monoatomic ion channel activity
- Gene Name
- HTR3A
- Uniprot ID
- P46098
- Uniprot Name
- 5-hydroxytryptamine receptor 3A
- Molecular Weight
- 55279.835 Da
Drug created at March 19, 2008 16:33 / Updated at February 21, 2021 18:52