NAV

VLX-1005

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

Identification

Generic Name
VLX-1005
DrugBank Accession Number
DB18307
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 441.52
Monoisotopic: 441.081698452
Chemical Formula
C21H19N3O4S2
Synonyms
  • Benzenesulfonamide, n-2-benzothiazolyl-4-(((2-hydroxy-3-methoxyphenyl)methyl)amino)-
  • N-2-benzothiazolyl-4-(((2-hydroxy-3-methoxyphenyl)methyl)amino)benzenesulfonamide
  • N-Benzothiazol-2-yl-4-(2-hydroxy-3-methoxy-benzylamino)-bezenesulfonamide
External IDs
  • ML-355
  • ML355
  • VLX-1005
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
JKU4XCC48Y
CAS number
1532593-30-8
InChI Key
OWHBVKBNNRYMIN-UHFFFAOYSA-N
InChI
InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
IUPAC Name
N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide
SMILES
COC1=CC=CC(CNC2=CC=C(C=C2)S(=O)(=O)NC2=NC3=CC=CC=C3S2)=C1O

References

General References
Not Available
ChemSpider
31139867
BindingDB
50447175
ChEMBL
CHEMBL3113165
ZINC
ZINC000103266485
PDBe Ligand
ZR5
PDB Entries
8ghd

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentHeparin Induced Thrombocytopenia (HIT) / Immune Thrombocytopenia (ITP)1
1CompletedTreatmentHeparin Induced Thrombocytopenia (HIT)1
1CompletedTreatmentSafety and Tolerability in Healthy Volunteers1

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
logP4.02Chemaxon
pKa (Strongest Acidic)5.69Chemaxon
pKa (Strongest Basic)2.37Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area100.55 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity116.68 m3·mol-1Chemaxon
Polarizability44.89 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 15, 2023 22:25 / Updated at September 17, 2023 04:16