LTX-315

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

Identification

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Name
LTX-315
Accession Number
DB12748
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
Categories
UNII
75FBL12IZ7
CAS number
1345407-05-7
Weight
Average: 1439.823
Monoisotopic: 1438.839017065
Chemical Formula
C78H106N18O9
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableCarcinoma NOS1
1CompletedTreatmentCancer With Transdermal Accessible Tumour1
1CompletedTreatmentCancer, Breast / Head and Neck Carcinoma / Malignancies / Malignant Lymphomas / Melanoma / Triple-Negative Breast Cancer (TNBC)1
2RecruitingTreatmentSoft Tissue Sarcoma (STS)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
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Alpha-oligopeptide / Diphenylmethane / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Triptan / N-substituted-alpha-amino acid / Alpha-amino acid or derivatives / 3-alkylindole / Indole / Indole or derivatives
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:01 / Updated on June 04, 2019 07:42