NAV

LTX-109

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
Similar Structures
Weight
Average: 788.099
Monoisotopic: 787.558485126
Chemical Formula
C43H69N11O3
Synonyms
Not Available
External IDs
  • LTX 109
  • LTX-109
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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.
Not Available
Food Interactions
Not Available

Products

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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
PubChem Compound
25242323
PubChem Substance
347828909
ChemSpider
26611002
ChEBI
77752
ChEMBL
CHEMBL1817968

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAtopic Dermatitis / Gram-positive, Skin Infections / Mild Eczema/Dermatoses1
2CompletedTreatmentNasal Decolonization of Staphylococcus Aureus1
2CompletedTreatmentNon-bullous Impetigo1
2RecruitingTreatmentCoronavirus Disease 2019 (COVID‑19)1
1, 2CompletedNot AvailableNasal Carriers MRSA1

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 Solubility0.00105 mg/mLALOGPS
logP3.76ALOGPS
logP3.67Chemaxon
logS-5.9ALOGPS
pKa (Strongest Acidic)12.68Chemaxon
pKa (Strongest Basic)12.17Chemaxon
Physiological Charge3Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count11Chemaxon
Polar Surface Area252.91 Å2Chemaxon
Rotatable Bond Count21Chemaxon
Refractivity249.61 m3·mol-1Chemaxon
Polarizability92.18 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-00yr-0000004900-d022f6a80b8e49e6210f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00to-2100000900-77febbf5a4c03fa3e15d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014l-5210113900-553b7369b442fec5361f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0229-3200112900-ed95eaa1dbc8691f509f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9031407400-da71035e281dc6f61837
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9430516200-8009001f8431a8dcc822
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-297.7765695
predicted
DarkChem Lite v0.1.0
[M-H]-270.86487
predicted
DeepCCS 1.0 (2019)
[M+H]+300.9455695
predicted
DarkChem Lite v0.1.0
[M+H]+273.03683
predicted
DeepCCS 1.0 (2019)
[M+Na]+300.8980695
predicted
DarkChem Lite v0.1.0
[M+Na]+279.28506
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:44 / Updated at June 12, 2020 16:53