NAV

MLN576

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

Identification

Generic Name
MLN576
DrugBank Accession Number
DB06517
Background

XR11576 (MLN576) is a novel monophenazine with a mechanism of action that includes interaction with both topoisomerase (Topo) I and II.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 388.471
Monoisotopic: 388.189926029
Chemical Formula
C23H24N4O2
Synonyms
Not Available
External IDs
  • MLN-576
  • MLN576
  • XR-11576
  • XR11576
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Pharmacology

Indication

Investigated for use/treatment in solid tumors.

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when MLN576 is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when MLN576 is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when MLN576 is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when MLN576 is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when MLN576 is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Q2L4XU3YX6
CAS number
346689-77-8
InChI Key
ACAXGYADTLFREX-CQSZACIVSA-N
InChI
InChI=1S/C23H24N4O2/c1-14(13-27(2)3)24-23(28)17-8-5-9-18-22(17)26-21-16-7-6-10-20(29-4)15(16)11-12-19(21)25-18/h5-12,14H,13H2,1-4H3,(H,24,28)/t14-/m1/s1
IUPAC Name
N-[(2R)-1-(dimethylamino)propan-2-yl]-1-methoxy-5,10-diazatetraphene-6-carboxamide
SMILES
COC1=C2C=CC3=NC4=CC=CC(C(=O)N[C@H](C)CN(C)C)=C4N=C3C2=CC=C1

References

General References
  1. Di Nicolantonio F, Knight LA, Di Palma S, Sharma S, Whitehouse PA, Mercer SJ, Charlton PA, Norris D, Cree IA: Ex vivo characterization of XR11576 (MLN576) against ovarian cancer and other solid tumors. Anticancer Drugs. 2004 Oct;15(9):849-60. doi: 10.1097/00001813-200410000-00005. [Article]
ChemSpider
8062266
ChEMBL
CHEMBL162781
ZINC
ZINC000003993858

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00894 mg/mLALOGPS
logP3.74ALOGPS
logP3.4Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)14.75Chemaxon
pKa (Strongest Basic)8.72Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area67.35 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity112.48 m3·mol-1Chemaxon
Polarizability43.31 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-000i-0019000000-0bb8faedd710de4523a2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ri-0009000000-e9d51b9996074541e1a3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0089000000-2760bdf5f58bcd9aa109
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ikm-2019000000-ebf306925a0f9ef0f5ab
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-2091000000-72b67b8ef2d7d791edf5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-9065000000-27194ca4b1198f4bc78d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 19, 2008 16:35 / Updated at May 05, 2021 20:30