This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Methyl undecenoyl leucinate
- DrugBank Accession Number
- DB11272
- Background
Methyl undecenoyl leucinate is an active ingredient in whitening creams. It is an α-MSH antagonist that inhibits melanin synthesis and tyrosinase activity and reduces expression of various melanogenic genes.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Methyl undecenoyl leucinate (DB11272)
- Weight
- Average: 311.466
Monoisotopic: 311.246043927 - Chemical Formula
- C18H33NO3
- Synonyms
- Not Available
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
- No interactions found.
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Isaknox Tervina Lumiere White Cream 0.1 mL/100mL Topical Lg Household & Health Care Ltd. 2011-05-25 Not applicable US 
Isaknox Tervina Lumiere White Serum Cream 0.1 mL/100mL Topical Lg Household & Health Care Ltd. 2011-05-25 2012-05-25 US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Isaknox Tervina Lumiere White Methyl undecenoyl leucinate (0.1 mL/100mL) Cream Topical Lg Household & Health Care Ltd. 2011-05-25 Not applicable US Isaknox Tervina Lumiere White Serum Methyl undecenoyl leucinate (0.1 mL/100mL) Cream Topical Lg Household & Health Care Ltd. 2011-05-25 2012-05-25 US
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Leucine and derivatives
- Alternative Parents
- N-acyl-alpha amino acids and derivatives / Alpha amino acid esters / Fatty acid esters / N-acyl amines / Methyl esters / Secondary carboxylic acid amides / Monocarboxylic acids and derivatives / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives show 1 more
- Substituents
- Aliphatic acyclic compound / Alpha-amino acid ester / Carbonyl group / Carboxamide group / Carboxylic acid ester / Fatty acid ester / Fatty acyl / Fatty amide / Hydrocarbon derivative / Leucine or derivatives show 10 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- D7PH6N3IEI
- CAS number
- 1246371-29-8
- InChI Key
- ICMAWHHKHYZNDA-INIZCTEOSA-N
- InChI
- InChI=1S/C18H33NO3/c1-5-6-7-8-9-10-11-12-13-17(20)19-16(14-15(2)3)18(21)22-4/h5,15-16H,1,6-14H2,2-4H3,(H,19,20)/t16-/m0/s1
- IUPAC Name
- methyl (2S)-4-methyl-2-(undec-10-enamido)pentanoate
- SMILES
- COC(=O)[C@H](CC(C)C)NC(=O)CCCCCCCCC=C
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Cream Topical 0.1 mL/100mL - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00165 mg/mL ALOGPS logP 4.46 ALOGPS logP 4.59 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 12.94 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.4 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 89.86 m3·mol-1 Chemaxon Polarizability 37.78 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0pvi-9480000000-fbb19e3c11b43a56a4d1 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03e9-5968000000-2f1d8bc32c1407faea99 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-01t9-0093000000-fbc15285c7695e21547a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-4971000000-53850cae202d7ce18c41 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001r-9620000000-df33fed33d4c30c8f6ad Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-015c-1910000000-cf894be91f92a34bc346 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05us-9300000000-cbf68700cec96eee3989 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]- 177.29832 predictedDeepCCS 1.0 (2019) [M+H]+ 179.65633 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.74947 predictedDeepCCS 1.0 (2019)
Drug created at December 03, 2015 16:51 / Updated at June 12, 2020 16:53