Vosaroxin

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
Vosaroxin
Accession Number
DB11999  (DB05517)
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
  • Voreloxin
External IDs
AG-7352 / SNS-595 / SPC-595
Categories
UNII
K6A90IIZ19
CAS number
175414-77-4
Weight
Average: 401.44
Monoisotopic: 401.115775286
Chemical Formula
C18H19N5O4S
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

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
9952884
PubChem Substance
347828318
ChemSpider
8128494
ChEMBL
CHEMBL68117
Wikipedia
Vosaroxin
ATC Codes
L01XX53 — Vosaroxin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentMyelodysplastic Syndromes1
1CompletedTreatmentChronic Myeloid Leukemia (CML) / Leukemia, Lymphocytic, Acute / Leukemia, Nonlymphocytic, Acute / Myelodysplastic Syndromes1
1CompletedTreatmentNeoplasms2
1, 2Active Not RecruitingTreatmentLeukemias1
1, 2CompletedTreatmentMyelodysplastic Syndrome1
2Active Not RecruitingTreatmentAcute Myeloid Leukemia Arising From Previous Myelodysplastic Syndrome / Acute Myeloid Leukemia With Multilineage Dysplasia / Granulocytic Sarcoma / Leukemia Acute Myeloid Leukemia (AML) / Secondary Acute Myeloid Leukemia (Secondary AML, sAML) / Therapy-Related Acute Myeloid Leukemia / Therapy-Related Myelodysplastic Syndrome1
2CompletedTreatmentAcute Disease / Leukemia Acute Myeloid Leukemia (AML) / Leukemias / Myelodysplastic Syndromes / Nonlymphocytic Leukemia1
2CompletedTreatmentCarcinoma, Small Cell / Lung Cancer Small Cell Lung Cancer (SCLC)1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2CompletedTreatmentOvarian Epithelial Cancer1
2RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML) / Myelodysplastic Syndrome With Excess Blasts-2 (MDS-EB-2)1
2, 3RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML)1
2, 3RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML) / Myelodysplastic Syndrome1
3CompletedTreatmentAcute Nonlymphocytic Leukemia / Leukemia Acute Myeloid Leukemia (AML) / Leukemias1
Not AvailableTerminatedTreatmentLeukemia Acute Myeloid Leukemia (AML)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 Solubility0.128 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/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 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
Naphthyridine carboxylic acid / Pyridine carboxylic acid / Pyridine carboxylic acid or derivatives / Dialkylarylamine / Aminopyridine / Imidolactam / Pyridine / Heteroaromatic compound / Vinylogous amide / Thiazole
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:09 / Updated on June 04, 2019 07:30