Axelopran

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

Identification

Name
Axelopran
Accession Number
DB12013
Description

Axelopran has been used in trials studying the treatment of OIC and Opioid-induced Constipation.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 457.615
Monoisotopic: 457.294056748
Chemical Formula
C26H39N3O4
Synonyms
  • Axelopran
External IDs
  • TD-1211

Pharmacology

Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:
Machine Learning
Data Science
Drug Discovery
Accelerate your drug discovery research with our fully connected ADMET dataset
Learn more
Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
Contraindications & Blackbox Warnings
With our commercial data, access important information on dangerous risks, contraindications, and adverse effects.
Learn more
Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
Learn more
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
Medicalerrors
Reduce medical errors
and improve treatment outcomes with our comprehensive & structured data on drug adverse effects.
Learn more
Reduce medical errors & improve treatment outcomes with our adverse effects data
Learn more
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.
DrugInteraction
AlfentanilThe therapeutic efficacy of Alfentanil can be decreased when used in combination with Axelopran.
BenzhydrocodoneThe therapeutic efficacy of Benzhydrocodone can be decreased when used in combination with Axelopran.
BuprenorphineThe therapeutic efficacy of Buprenorphine can be decreased when used in combination with Axelopran.
ButorphanolThe therapeutic efficacy of Butorphanol can be decreased when used in combination with Axelopran.
CodeineThe therapeutic efficacy of Codeine can be decreased when used in combination with Axelopran.
DextropropoxypheneThe therapeutic efficacy of Dextropropoxyphene can be decreased when used in combination with Axelopran.
DezocineThe therapeutic efficacy of Dezocine can be decreased when used in combination with Axelopran.
DiamorphineThe therapeutic efficacy of Diamorphine can be decreased when used in combination with Axelopran.
DihydrocodeineThe therapeutic efficacy of Dihydrocodeine can be decreased when used in combination with Axelopran.
DiphenoxylateThe therapeutic efficacy of Diphenoxylate can be decreased when used in combination with Axelopran.
Interactions
Improve patient outcomes
Build effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.
Learn more
Food Interactions
Not Available

Products

Products
Comprehensive & structured drug product info
From application numbers to product codes, connect different identifiers through our commercial datasets.
Learn more
Easily connect various identifiers back to our datasets
Learn more
Product Ingredients
IngredientUNIICASInChI Key
Axelopran Sulfate8OJM0A31U9949904-50-1QNFFAKFVKCGLPK-WTKDUOFSSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Tropane alkaloids
Sub Class
Phenyltropanes
Direct Parent
Phenyltropanes
Alternative Parents
Phenylpiperidines / Benzamides / Benzoyl derivatives / Aralkylamines / Monosaccharides / N-alkylpyrrolidines / Tertiary carboxylic acid amides / Amino acids and derivatives / 1,2-diols / Secondary alcohols
show 7 more
Substituents
1,2-diol / Alcohol / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzamide / Benzenoid / Benzoic acid or derivatives
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
85U7ROB149
CAS number
949904-48-7
InChI Key
ATLYLVPZNWDJBW-KIHHCIJBSA-N
InChI
InChI=1S/C26H39N3O4/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32)/t21-,22+,23-,24-/m0/s1
IUPAC Name
3-[(1R,3R,5S)-8-{2-[(2S)-N-(cyclohexylmethyl)-2,3-dihydroxypropanamido]ethyl}-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILES
NC(=O)C1=CC=CC(=C1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO

References

General References
Not Available
PubChem Compound
67156338
PubChem Substance
347828331
ChemSpider
31444004
ChEMBL
CHEMBL3137313
Wikipedia
Axelopran

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOpioid Induced Constipation (OIC)3
1CompletedTreatmentConstipation1
1CompletedTreatmentHealthy Volunteers1
1CompletedTreatmentOIC1
1, 2CompletedTreatmentHealthy Volunteers / Opioid Induced Constipation (OIC)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
PropertyValueSource
Water Solubility0.0719 mg/mLALOGPS
logP2.67ALOGPS
logP1.9ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)12.4ChemAxon
pKa (Strongest Basic)8.75ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area107.1 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity128.51 m3·mol-1ChemAxon
Polarizability52.1 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 21:11 / Updated on February 21, 2021 18:53