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

Identification

Name
SGX-523
Accession Number
DB06314
Description

A MET receptor tyrosine kinase inhibitor.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 359.408
Monoisotopic: 359.095314141
Chemical Formula
C18H13N7S
Synonyms
  • 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
External IDs
  • SGX 523
  • SGX-523
  • SGX523

Pharmacology

Indication

Investigated for use/treatment in solid tumors and cancer/tumors (unspecified).

Contraindications & Blackbox Warnings
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Pharmacodynamics
Not Available
Mechanism of action

SGX523 is selective inhibitor of the receptor tyrosine kinase MET. MET is implicated in development and progression of cancer. SGX523 ihibits MET autophosphorylation and signalling, as well as activates cysteine-aspartic acid protease 3 (caspase 3), an enzyme which is part of the apoptosis signalling cascade.

TargetActionsOrganism
UHepatocyte growth factor receptorNot AvailableHumans
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
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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

Products

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
Kingdom
Organic compounds
Super Class
Organosulfur compounds
Class
Thioethers
Sub Class
Aryl thioethers
Direct Parent
Diarylthioethers
Alternative Parents
Quinolines and derivatives / Triazolopyridazines / Thiophenol ethers / Pyridines and derivatives / Pyridazines and derivatives / Triazoles / Pyrazoles / Heteroaromatic compounds / Sulfenyl compounds / Azacyclic compounds
show 3 more
Substituents
1,2,4-triazole / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Diarylthioether / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organoheterocyclic compound
show 9 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
WH8SQN09KJ
CAS number
1022150-57-7
InChI Key
BCZUAADEACICHN-UHFFFAOYSA-N
InChI
InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
IUPAC Name
6-{[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
SMILES
CN1C=C(C=N1)C1=NN2C(SC3=CC=C4N=CC=CC4=C3)=NN=C2C=C1

References

General References
Not Available
ChemSpider
24608644
BindingDB
60589
ChEBI
90624
ChEMBL
CHEMBL1236107
ZINC
ZINC000039129916
PDBe Ligand
SX8
PDB Entries
3dkf / 3dkg

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentCancer, Advanced2

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 Solubility0.0177 mg/mLALOGPS
logP2.94ALOGPS
logP3.18ChemAxon
logS-4.3ALOGPS
pKa (Strongest Basic)4.26ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area73.79 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity123.74 m3·mol-1ChemAxon
Polarizability36.6 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+1.0
Blood Brain Barrier+0.9482
Caco-2 permeable+0.5877
P-glycoprotein substrateNon-substrate0.7519
P-glycoprotein inhibitor INon-inhibitor0.6715
P-glycoprotein inhibitor IINon-inhibitor0.8707
Renal organic cation transporterNon-inhibitor0.7001
CYP450 2C9 substrateNon-substrate0.7277
CYP450 2D6 substrateNon-substrate0.8469
CYP450 3A4 substrateNon-substrate0.6159
CYP450 1A2 substrateInhibitor0.9493
CYP450 2C9 inhibitorNon-inhibitor0.7441
CYP450 2D6 inhibitorNon-inhibitor0.9495
CYP450 2C19 inhibitorNon-inhibitor0.5554
CYP450 3A4 inhibitorNon-inhibitor0.6735
CYP450 inhibitory promiscuityHigh CYP Inhibitory Promiscuity0.6563
Ames testAMES toxic0.539
CarcinogenicityNon-carcinogens0.9293
BiodegradationNot ready biodegradable0.9958
Rat acute toxicity2.3146 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9395
hERG inhibition (predictor II)Non-inhibitor0.7985
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Protein tyrosine kinase activity
Specific Function
Receptor tyrosine kinase that transduces signals from the extracellular matrix into the cytoplasm by binding to hepatocyte growth factor/HGF ligand. Regulates many physiological processes including...
Gene Name
MET
Uniprot ID
P08581
Uniprot Name
Hepatocyte growth factor receptor
Molecular Weight
155540.035 Da

Drug created on March 19, 2008 10:24 / Updated on June 12, 2020 10:52

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