NAV

Vosaroxin

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

Identification

Generic Name
Vosaroxin
DrugBank Accession Number
DB11999
Background

Vosaroxin is under investigation for the treatment of Leukemia, Myeloid, Acute.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 401.44
Monoisotopic: 401.115775286
Chemical Formula
C18H19N5O4S
Synonyms
  • Voreloxin
  • Vosaroxin
External IDs
  • AG-7352
  • SNS-595
  • SPC-595
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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 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 Vosaroxin is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Vosaroxin is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Vosaroxin is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Vosaroxin is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Vosaroxin is combined with Bupivacaine.
Food Interactions
Not Available

Categories

ATC Codes
L01XX53 — Vosaroxin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Naphthyridines
Direct Parent
Naphthyridine carboxylic acids and derivatives
Alternative Parents
Pyridinecarboxylic acids / Dialkylarylamines / Aminopyridines and derivatives / Imidolactams / Vinylogous amides / Thiazoles / Pyrrolidines / Heteroaromatic compounds / Amino acids / Dialkylamines
show 5 more
Substituents
Amine / Amino acid / Amino acid or derivatives / Aminopyridine / Aromatic heteropolycyclic compound / Azacycle / Azole / Carboxylic acid / Carboxylic acid derivative / Dialkyl ether
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
K6A90IIZ19
CAS number
175414-77-4
InChI Key
XZAFZXJXZHRNAQ-STQMWFEESA-N
InChI
InChI=1S/C18H19N5O4S/c1-19-12-8-22(9-13(12)27-2)14-4-3-10-15(24)11(17(25)26)7-23(16(10)21-14)18-20-5-6-28-18/h3-7,12-13,19H,8-9H2,1-2H3,(H,25,26)/t12-,13-/m0/s1
IUPAC Name
7-[(3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
SMILES
CN[C@H]1CN(C[C@@H]1OC)C1=CC=C2C(=O)C(=CN(C3=NC=CS3)C2=N1)C(O)=O

References

General References
Not Available
PubChem Compound
9952884
PubChem Substance
347828318
ChemSpider
8128494
ChEMBL
CHEMBL68117
ZINC
ZINC000026186622
Wikipedia
Vosaroxin

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAcute Myeloid Leukemia1
2Active Not RecruitingTreatmentAcute Myeloid Leukemia / Acute Myeloid Leukemia Arising From Previous Myelodysplastic Syndrome / Acute Myeloid Leukemia With Multilineage Dysplasia / Granulocytic Sarcoma / Secondary Acute Myeloid Leukemia (Secondary AML, sAML) / Therapy-Related Myelodysplastic Syndrome / Treatment-Related Acute Myeloid Leukemia1
2CompletedTreatmentAcute Disease / Acute Myeloid Leukemia / Leukemias / Myelodysplastic Syndrome / Nonlymphocytic Leukemia1
2CompletedTreatmentAcute Myeloid Leukemia / Myelodysplastic Syndrome With Excess Blasts-2 (MDS-EB-2)1
2CompletedTreatmentEpithelial Ovarian 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 Solubility0.128 mg/mLALOGPS
logP-0.49ALOGPS
logP-0.42Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)5.06Chemaxon
pKa (Strongest Basic)8.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area107.89 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity103 m3·mol-1Chemaxon
Polarizability41.3 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0ul0-0009500000-f886395891b689ba592a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0039200000-52732b8b8473b7781282
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-0009000000-e982292ac9b3c2e74596
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-0019000000-c2686945d9dcfddb3775
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-024j-0049000000-1b729b24bdb87c9f95be
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zi3-4029100000-fe31b0b8efdddd47671d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-183.09526
predicted
DeepCCS 1.0 (2019)
[M+H]+185.49081
predicted
DeepCCS 1.0 (2019)
[M+Na]+191.51067
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:09 / Updated at January 14, 2023 19:03