Cebranopadol
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Cebranopadol
- DrugBank Accession Number
- DB12830
- Background
Cebranopadol has been used in trials studying the treatment of Pain, Neoplasms, and Chronic Pain.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 378.491
Monoisotopic: 378.21074166 - Chemical Formula
- C24H27FN2O
- Synonyms
- Cebranopadol
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
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Indoles and derivatives
- Sub Class
- Indoles
- Direct Parent
- 3-alkylindoles
- Alternative Parents
- Aralkylamines / Benzene and substituted derivatives / Aryl fluorides / Pyrroles / Heteroaromatic compounds / Trialkylamines / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds / Organofluorides show 1 more
- Substituents
- 3-alkylindole / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Dialkyl ether / Ether show 13 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7GDW9S3GN3
- CAS number
- 863513-91-1
- InChI Key
- CSMVOZKEWSOFER-RQNOJGIXSA-N
- InChI
- InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3/t23-,24-
- IUPAC Name
- (1r,4r)-6'-fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indole]-4-amine
- SMILES
- CN(C)[C@]1(CC[C@@]2(CC1)OCCC1=C2NC2=CC=C(F)C=C12)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11848225
- PubChem Substance
- 347828996
- ChemSpider
- 29398942
- ChEMBL
- CHEMBL2364605
- Wikipedia
- Cebranopadol
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Chronic Pain / Neoplasm / Pain 1 3 Terminated Treatment Chronic Pain / Neoplasm / Pain 1 2 Completed Treatment Chronic Pain / Diabetes Mellitus / Diabetic Neuropathies 1 2 Completed Treatment Moderate to Severe Chronic Pain Due to Osteoarthritis of the Knee 1 1 Completed Treatment Human Abuse Potential 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 0.00106 mg/mL ALOGPS logP 4.63 ALOGPS logP 4.74 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 15.95 Chemaxon pKa (Strongest Basic) 9.92 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 28.26 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 110.92 m3·mol-1 Chemaxon Polarizability 42.81 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes 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 splash10-004i-0009000000-0183ef36153a49ebb9ba Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a6r-0009000000-f4d77fee4ca49e5c5b47 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0041-4009000000-2e106752dcec4e478932 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0009000000-ce834b067847172b410a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-06uu-0009000000-b1b0db34ab98fb80c7fc Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03gi-1945000000-814c5aba8b1c4ffb50a7 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]- 186.45743 predictedDeepCCS 1.0 (2019) [M+H]+ 188.853 predictedDeepCCS 1.0 (2019) [M+Na]+ 194.94377 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:33 / Updated at February 21, 2021 18:54