Bevenopran
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Bevenopran
- DrugBank Accession Number
- DB12464
- Background
Bevenopran has been used in trials studying the treatment of Renal Impairment and Opioid-Induced Constipation.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 386.452
Monoisotopic: 386.195405333 - Chemical Formula
- C20H26N4O4
- Synonyms
- Bevenopran
- External IDs
- ADL-5945
- ADL5945
- CB-5945
- CB5945
Pharmacology
- Indication
Not Available
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- 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
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Ethers
- Direct Parent
- Diarylethers
- Alternative Parents
- Pyrazinecarboxamides / 2-heteroaryl carboxamides / Phenylmethylamines / Phenoxy compounds / Anisoles / Methoxybenzenes / Benzylamines / Alkyl aryl ethers / Aralkylamines / Oxanes show 9 more
- Substituents
- 2-heteroaryl carboxamide / Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Benzylamine show 23 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- IC58Q2EHPJ
- CAS number
- 676500-67-7
- InChI Key
- ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)
- IUPAC Name
- 5-[2-methoxy-4-({[2-(oxan-4-yl)ethyl]amino}methyl)phenoxy]pyrazine-2-carboxamide
- SMILES
- COC1=CC(CNCCC2CCOCC2)=CC=C1OC1=CN=C(C=N1)C(N)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 10452732
- PubChem Substance
- 347828703
- ChemSpider
- 8628148
- ChEMBL
- CHEMBL3039511
- ZINC
- ZINC000038896576
- Wikipedia
- Bevenopran
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Opioid Induced Constipation (OIC) 4 2 Completed Treatment Constipation 1 2 Completed Treatment Opioid Induced Constipation (OIC) 1 1 Terminated Not Available Impaired Renal Function 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 0.0267 mg/mL ALOGPS logP 2.2 ALOGPS logP 1.06 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 13.24 Chemaxon pKa (Strongest Basic) 9.37 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 108.59 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 104.69 m3·mol-1 Chemaxon Polarizability 40.48 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 Yes 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 splash10-000i-0109000000-d8606eb7d640ce154c72 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00kf-0009000000-9cbe922758e925a8614b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0079-0219000000-cc95851898f02377ea13 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00fr-3925000000-60485aa394f0e9a94afe Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9577000000-79778a114043d8e2da65 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000f-7192000000-97a6bd59056f24bcdef6 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]- 219.9899508 predictedDarkChem Lite v0.1.0 [M-H]- 183.68811 predictedDeepCCS 1.0 (2019) [M+H]+ 220.9469508 predictedDarkChem Lite v0.1.0 [M+H]+ 186.19499 predictedDeepCCS 1.0 (2019) [M+Na]+ 220.3186508 predictedDarkChem Lite v0.1.0 [M+Na]+ 194.73067 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:29 / Updated at February 21, 2021 18:53