NAV

LTX-315

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

Identification

Generic Name
LTX-315
DrugBank Accession Number
DB12748
Background

LTX-315 has been used in trials studying the treatment of Cancer, Lymphoma, Melanoma, Carcinoma, and Breast Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1439.823
Monoisotopic: 1438.839017065
Chemical Formula
C78H106N18O9
Synonyms
Not Available
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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

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
Diphenylmethanes / N-acyl-alpha amino acids and derivatives / Tryptamines and derivatives / Alpha amino acid amides / 3-alkylindoles / Substituted pyrroles / N-acyl amines / Heteroaromatic compounds / Secondary carboxylic acid amides / Primary carboxylic acid amides
show 6 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 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
75FBL12IZ7
CAS number
1345407-05-7
InChI Key
GGAKLYWEFZCVIT-TVEKFXMRSA-N
InChI
InChI=1S/C78H106N18O9/c79-38-18-13-30-57(84)71(98)90-62(35-15-20-40-81)73(100)93-66(44-52-47-87-59-32-11-8-28-55(52)59)76(103)95-65(43-51-46-86-58-31-10-7-27-54(51)58)75(102)92-63(36-16-21-41-82)72(99)91-64(37-17-22-42-83)74(101)94-67(45-53-48-88-60-33-12-9-29-56(53)60)77(104)96-69(78(105)89-61(70(85)97)34-14-19-39-80)68(49-23-3-1-4-24-49)50-25-5-2-6-26-50/h1-12,23-29,31-33,46-48,57,61-69,86-88H,13-22,30,34-45,79-84H2,(H2,85,97)(H,89,105)(H,90,98)(H,91,99)(H,92,102)(H,93,100)(H,94,101)(H,95,103)(H,96,104)/t57-,61-,62-,63-,64-,65-,66-,67-,69-/m0/s1
IUPAC Name
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3,3-diphenylpropanamido]hexanamide
SMILES
NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(N)=O

References

General References
Not Available
PubChem Compound
46200994
PubChem Substance
347828937
ChemSpider
52085412

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentAdvanced Melanoma1
2CompletedTreatmentSoft Tissue Sarcoma1
2RecruitingTreatmentBasal Cell Carcinoma (BCC) / Cancer of the Skin / Cancer of the Skin, Basal Cell / Carcinoma1
1CompletedNot AvailableCarcinoma1
1CompletedTreatmentBreast Cancer / Cancer / Head And Neck Cancer / Lymphoma / Melanoma / Triple-Negative Breast Cancer1

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 Solubility0.00289 mg/mLALOGPS
logP2.43ALOGPS
logP2.08Chemaxon
logS-5.7ALOGPS
pKa (Strongest Acidic)12.16Chemaxon
pKa (Strongest Basic)10.89Chemaxon
Physiological Charge6Chemaxon
Hydrogen Acceptor Count15Chemaxon
Hydrogen Donor Count18Chemaxon
Polar Surface Area479.38 Å2Chemaxon
Rotatable Bond Count46Chemaxon
Refractivity403.56 m3·mol-1Chemaxon
Polarizability159.24 Å3Chemaxon
Number of Rings8Chemaxon
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/MSsplash10-00dr-0303911210-8df2b10d6941cc7ee428
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0670-4433940210-1a4a80c7a020d6002942
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-4136913650-0a6a5bf686be2f5adc28
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-9623221000-fef58df025cc9bd70b7b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lr-6930111200-7eba85923d370250979d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05uu-3936010331-70596fbacb71e20dfe25
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-377.0782
predicted
DeepCCS 1.0 (2019)
[M+H]+378.8019
predicted
DeepCCS 1.0 (2019)
[M+Na]+384.9778
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:01 / Updated at June 12, 2020 16:53