NAV

Motretinide

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

Identification

Generic Name
Motretinide
DrugBank Accession Number
DB13368
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 353.506
Monoisotopic: 353.235479242
Chemical Formula
C23H31NO2
Synonyms
  • Motretinide
External IDs
  • RO 11-1430
  • RO-11-1430
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
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interactions in your software
Cyproterone acetateThe therapeutic efficacy of Cyproterone acetate can be decreased when used in combination with Motretinide.
DemeclocyclineThe risk or severity of pseudotumor cerebri can be increased when Motretinide is combined with Demeclocycline.
DesogestrelThe therapeutic efficacy of Desogestrel can be decreased when used in combination with Motretinide.
DienogestThe therapeutic efficacy of Dienogest can be decreased when used in combination with Motretinide.
DiethylstilbestrolThe therapeutic efficacy of Diethylstilbestrol can be decreased when used in combination with Motretinide.
Food Interactions
Not Available

Categories

ATC Codes
D10AD05 — Motretinide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Retinoids
Direct Parent
Retinoids
Alternative Parents
Sesquiterpenoids / Styrenes / Phenoxy compounds / Methoxybenzenes / Anisoles / Alkyl aryl ethers / N-acyl amines / Secondary carboxylic acid amides / Organopnictogen compounds / Organonitrogen compounds
show 3 more
Substituents
Alkyl aryl ether / Anisole / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Cyclofarsesane sesquiterpenoid / Ether / Hydrocarbon derivative
show 15 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
W786807KL1
CAS number
56281-36-8
InChI Key
IYIYMCASGKQOCZ-DJRRULDNSA-N
InChI
InChI=1S/C23H31NO2/c1-8-24-23(25)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(26-7)20(6)19(21)5/h9-15H,8H2,1-7H3,(H,24,25)/b11-9+,13-12+,16-10+,17-14+
IUPAC Name
(2E,4E,6E,8E)-N-ethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenamide
SMILES
CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C=C(OC)C(C)=C1C

References

General References
Not Available
ChemSpider
4880635
ChEBI
135490
ChEMBL
CHEMBL519260
ZINC
ZINC000003812940
Wikipedia
Motretinide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.000767 mg/mLALOGPS
logP5.78ALOGPS
logP5.36Chemaxon
logS-5.7ALOGPS
pKa (Strongest Acidic)16.33Chemaxon
pKa (Strongest Basic)-0.22Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area38.33 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity115.63 m3·mol-1Chemaxon
Polarizability43.68 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-0006-0393000000-eda77df47f6faa1f3cb5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-4049000000-8e78eca7a3ccf34313e0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9452000000-c2dc0d480f243a5d02d4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6x-0290000000-979ae8e110cbb6c4f692
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9061000000-f36531fcc9c979211485
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gyo-2961000000-5ae547cfec679717c72b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-192.21075
predicted
DeepCCS 1.0 (2019)
[M+H]+194.60632
predicted
DeepCCS 1.0 (2019)
[M+Na]+200.58643
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54