Cebranopadol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Cebranopadol
Accession Number
DB12830
Description

Cebranopadol has been used in trials studying the treatment of Pain, Neoplasms, and Chronic Pain.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 378.491
Monoisotopic: 378.21074166
Chemical Formula
C24H27FN2O
Synonyms
Not Available

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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

Products

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

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
PubChem Compound
11848225
PubChem Substance
347828996
ChemSpider
29398942
ChEMBL
CHEMBL2364605
Wikipedia
Cebranopadol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentNeoplasms / Pain / Pain, Chronic1
3TerminatedTreatmentNeoplasms / Pain / Pain, Chronic1
2CompletedTreatmentDiabetes Mellitus / Diabetic Neuropathies / Pain, Chronic1
2CompletedTreatmentModerate to Severe Chronic Pain Due to Osteoarthritis of the Knee1
1CompletedTreatmentPharmacokinetics1
1CompletedTreatmentPharmacokinetics / Prolonged QT Interval1
1CompletedTreatmentSubstance Abuse1

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
PropertyValueSource
Water Solubility0.00106 mg/mLALOGPS
logP4.63ALOGPS
logP4.74ChemAxon
logS-5.6ALOGPS
pKa (Strongest Acidic)15.95ChemAxon
pKa (Strongest Basic)9.92ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area28.26 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity110.92 m3·mol-1ChemAxon
Polarizability42.81 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 18:33 / Updated on June 12, 2020 10:53

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