This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ritobegron
- DrugBank Accession Number
- DB12080
- Background
Ritobegron is under investigation in clinical trial NCT02256735 (Study to Investigate the Effect of KUC 7483 CL on the QT/QTc Interval of the ECG in Comparison to Placebo and Moxifloxacin in Healthy Male and Female Volunteers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ritobegron (DB12080)
- Weight
- Average: 373.449
Monoisotopic: 373.188922973 - Chemical Formula
- C21H27NO5
- Synonyms
- Ritobegron
- External IDs
- KUC-7483
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.- 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
- 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 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol The therapeutic efficacy of Acebutolol can be decreased when used in combination with Ritobegron. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Ritobegron. Acemetacin The risk or severity of hypertension can be increased when Ritobegron is combined with Acemetacin. Acetazolamide Acetazolamide may decrease the excretion rate of Ritobegron which could result in a higher serum level. Acetophenazine Acetophenazine may decrease the stimulatory activities of Ritobegron. - Food Interactions
- Not Available
Categories
- Drug Categories
- Acids, Acyclic
- Adrenergic Agents
- Adrenergic Agonists
- Adrenergic beta-3 Receptor Agonists
- Adrenergic beta-Agonists
- Agents producing tachycardia
- Agents that produce hypertension
- Amines
- Amphetamines
- Drugs for Urinary Frequency and Incontinence
- Ethylamines
- Fatty Acids
- Fatty Acids, Volatile
- Lipids
- Neurotransmitter Agents
- Phenethylamines
- Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome
- Sympathomimetics
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenoxyacetic acid derivatives
- Direct Parent
- Phenoxyacetic acid derivatives
- Alternative Parents
- Phenethylamines / Phenylpropanes / p-Xylenes / Phenoxy compounds / Phenol ethers / 1-hydroxy-2-unsubstituted benzenoids / Alkyl aryl ethers / Aralkylamines / 1,2-aminoalcohols / Amino acids show 8 more
- Substituents
- 1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / Alcohol / Alkyl aryl ether / Amine / Amino acid / Amino acid or derivatives / Aralkylamine / Aromatic alcohol / Aromatic homomonocyclic compound show 22 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- LD86RKR53M
- CAS number
- 255734-04-4
- InChI Key
- VMMYRRFPMAGXNP-BTYIYWSLSA-N
- InChI
- InChI=1S/C21H27NO5/c1-13-11-19(27-12-20(24)25)14(2)10-17(13)8-9-22-15(3)21(26)16-4-6-18(23)7-5-16/h4-7,10-11,15,21-23,26H,8-9,12H2,1-3H3,(H,24,25)/t15-,21-/m0/s1
- IUPAC Name
- 2-[4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)-2,5-dimethylphenoxy]acetic acid
- SMILES
- C[C@H](NCCC1=C(C)C=C(OCC(O)=O)C(C)=C1)[C@H](O)C1=CC=C(O)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9820882
- PubChem Substance
- 347828386
- ChemSpider
- 7996631
- ChEMBL
- CHEMBL2107773
- ZINC
- ZINC000072266295
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 3 Completed Treatment Overactive Bladder Syndrome (OABS) 1 3 Withdrawn Treatment Overactive Bladder Syndrome (OABS) 1 2 Completed Treatment Overactive Bladder Syndrome (OABS) 1 1 Completed Treatment Healthy Subjects (HS) 6 1 Completed Treatment Spinal Cord Injuries 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 0.0103 mg/mL ALOGPS logP 1.79 ALOGPS logP 0.9 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 3.73 Chemaxon pKa (Strongest Basic) 10.01 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 99.02 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 103.67 m3·mol-1 Chemaxon Polarizability 41.25 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0bt9-1129000000-a090e7f8f156f64237e9 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9001000000-2faedf3f6e798312e282 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-053r-4393000000-06f25d21bc413929a54e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-8944000000-f681f8c312f297419b63 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-1961000000-443679b85e2e07ec6b5f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-3c11f6cbba4b9c6dae33 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]- 192.63344 predictedDeepCCS 1.0 (2019) [M+H]+ 194.99144 predictedDeepCCS 1.0 (2019) [M+Na]+ 201.72179 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:19 / Updated at February 21, 2021 18:53