Axelopran

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

Identification

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Name
Axelopran
Accession Number
DB12013
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
TD-1211
Product Ingredients
IngredientUNIICASInChI Key
Axelopran Sulfate8OJM0A31U9949904-50-1QNFFAKFVKCGLPK-WTKDUOFSSA-N
Categories
UNII
85U7ROB149
CAS number
949904-48-7
Weight
Average: 457.615
Monoisotopic: 457.294056748
Chemical Formula
C26H39N3O4
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AlfentanilThe therapeutic efficacy of Alfentanil can be decreased when used in combination with Axelopran.
AlphacetylmethadolThe therapeutic efficacy of Alphacetylmethadol can be decreased when used in combination with Axelopran.
AlphaprodineThe therapeutic efficacy of Alphaprodine can be decreased when used in combination with Axelopran.
BezitramideThe therapeutic efficacy of Bezitramide 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.
CarfentanilThe therapeutic efficacy of Carfentanil can be decreased when used in combination with Axelopran.
Carfentanil, C-11The therapeutic efficacy of Carfentanil, C-11 can be decreased when used in combination with Axelopran.
CodeineThe therapeutic efficacy of Codeine can be decreased when used in combination with Axelopran.
DexketoprofenThe therapeutic efficacy of Dexketoprofen can be decreased when used in combination with Axelopran.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers1
1CompletedTreatmentOIC1
1, 2CompletedTreatmentHealthy Volunteers / Opioid Induced Constipation (OIC)1
2CompletedTreatmentOpioid Induced Constipation (OIC)3

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

Taxonomy

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
Phenyltropane / Phenylpiperidine / Benzamide / Benzoic acid or derivatives / Benzoyl / Aralkylamine / Monocyclic benzene moiety / Monosaccharide / Piperidine / N-alkylpyrrolidine
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:11 / Updated on June 04, 2019 07:30