This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- LTX-109
- DrugBank Accession Number
- DB12711
- Background
LTX-109 has been investigated for the treatment of Atopic Dermatitis, Mild Eczema/Dermatoses, and Gram-positive, Skin Infections.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for LTX-109 (DB12711)
- Weight
- Average: 788.099
Monoisotopic: 787.558485126 - Chemical Formula
- C43H69N11O3
- Synonyms
- Not Available
- External IDs
- LTX 109
- LTX-109
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- Not Available
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.- International/Other Brands
- Lytixar
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Oligopeptides
- Alternative Parents
- N-acyl-alpha amino acids and derivatives / Tryptamines and derivatives / Alpha amino acid amides / 3-alkylindoles / Substituted pyrroles / N-acyl amines / Benzene and substituted derivatives / Heteroaromatic compounds / Secondary carboxylic acid amides / Guanidines show 8 more
- Substituents
- 3-alkylindole / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group show 28 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- monocarboxylic acid amide, tripeptide (CHEBI:77752)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- HO813QDF65
- CAS number
- 1166254-80-3
- InChI Key
- ZVOYWSKEBVVLGW-ZDCRTTOTSA-N
- InChI
- InChI=1S/C43H69N11O3/c1-41(2,3)27-23-28-29(35(43(7,8)9)54-34(28)30(24-27)42(4,5)6)25-33(53-36(55)31(44)17-13-20-50-39(45)46)38(57)52-32(18-14-21-51-40(47)48)37(56)49-22-19-26-15-11-10-12-16-26/h10-12,15-16,23-24,31-33,54H,13-14,17-22,25,44H2,1-9H3,(H,49,56)(H,52,57)(H,53,55)(H4,45,46,50)(H4,47,48,51)/t31-,32-,33-/m0/s1
- IUPAC Name
- (2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(2,5,7-tri-tert-butyl-1H-indol-3-yl)propanamido]-5-carbamimidamido-N-(2-phenylethyl)pentanamide
- SMILES
- CC(C)(C)C1=C(C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCC2=CC=CC=C2)C2=C(N1)C(=CC(=C2)C(C)(C)C)C(C)(C)C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25242323
- PubChem Substance
- 347828909
- ChemSpider
- 26611002
- ChEBI
- 77752
- ChEMBL
- CHEMBL1817968
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Atopic Dermatitis / Gram-positive, Skin Infections / Mild Eczema/Dermatoses 1 2 Completed Treatment Non-bullous Impetigo 1 2 Recruiting Treatment Coronavirus Disease 2019 (COVID‑19) 1 1, 2 Completed Not Available Nasal Carriers MRSA 1 1, 2 Completed Treatment Hidradenitis Suppurativa (HS) 1 1, 2 Completed Treatment Nasal Decolonization of Staphylococcus Aureus 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
Property Value Source Water Solubility 0.00105 mg/mL ALOGPS logP 3.76 ALOGPS logP 3.67 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 12.68 Chemaxon pKa (Strongest Basic) 12.17 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 11 Chemaxon Polar Surface Area 252.91 Å2 Chemaxon Rotatable Bond Count 21 Chemaxon Refractivity 249.61 m3·mol-1 Chemaxon Polarizability 92.18 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 23:44 / Updated at June 12, 2020 16:53