This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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Identification
- Generic Name
- SGX-523
- DrugBank Accession Number
- DB06314
- Background
A MET receptor tyrosine kinase inhibitor.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for SGX-523 (DB06314)
- 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).
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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.
Target Actions Organism AHepatocyte growth factor receptor inhibitorHumans - 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- 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
- Affected organisms
- 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
- External Links
- ChemSpider
- 24608644
- BindingDB
- 60589
- ChEBI
- 90624
- ChEMBL
- CHEMBL1236107
- ZINC
- ZINC000039129916
- PDBe Ligand
- SX8
- PDB Entries
- 3dkf / 3dkg
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data1 Terminated Treatment Advanced Malignant Neoplasm 2 somestatus stop reason just information to hide
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
Property Value Source Water Solubility 0.0177 mg/mL ALOGPS logP 2.94 ALOGPS logP 3.18 Chemaxon logS -4.3 ALOGPS pKa (Strongest Basic) 4.26 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 73.79 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 123.74 m3·mol-1 Chemaxon Polarizability 36.6 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 1.0 Blood Brain Barrier + 0.9482 Caco-2 permeable + 0.5877 P-glycoprotein substrate Non-substrate 0.7519 P-glycoprotein inhibitor I Non-inhibitor 0.6715 P-glycoprotein inhibitor II Non-inhibitor 0.8707 Renal organic cation transporter Non-inhibitor 0.7001 CYP450 2C9 substrate Non-substrate 0.7277 CYP450 2D6 substrate Non-substrate 0.8469 CYP450 3A4 substrate Non-substrate 0.6159 CYP450 1A2 substrate Inhibitor 0.9493 CYP450 2C9 inhibitor Non-inhibitor 0.7441 CYP450 2D6 inhibitor Non-inhibitor 0.9495 CYP450 2C19 inhibitor Non-inhibitor 0.5554 CYP450 3A4 inhibitor Non-inhibitor 0.6735 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.6563 Ames test AMES toxic 0.539 Carcinogenicity Non-carcinogens 0.9293 Biodegradation Not ready biodegradable 0.9958 Rat acute toxicity 2.3146 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9395 hERG inhibition (predictor II) Non-inhibitor 0.7985
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-05ai-2927000000-7444bae153c344be7580 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-d16b6aa48d5cf4e8f9cc Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0009000000-4b1edf3b8eb6e3b9a2d5 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0009000000-6c14e2ba9cc3a0a9b421 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-b4b7d356081ccddbf337 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0309000000-55eed05541f5d125dc59 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-3819000000-7ed0e6391960df749049 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.1676095 predictedDarkChem Lite v0.1.0 [M-H]- 185.32516 predictedDeepCCS 1.0 (2019) [M+H]+ 206.3804095 predictedDarkChem Lite v0.1.0 [M+H]+ 187.68318 predictedDeepCCS 1.0 (2019) [M+Na]+ 205.9351095 predictedDarkChem Lite v0.1.0 [M+Na]+ 194.69615 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General 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 proliferation, scattering, morphogenesis and survival. Ligand binding at the cell surface induces autophosphorylation of MET on its intracellular domain that provides docking sites for downstream signaling molecules. Following activation by ligand, interacts with the PI3-kinase subunit PIK3R1, PLCG1, SRC, GRB2, STAT3 or the adapter GAB1. Recruitment of these downstream effectors by MET leads to the activation of several signaling cascades including the RAS-ERK, PI3 kinase-AKT, or PLCgamma-PKC. The RAS-ERK activation is associated with the morphogenetic effects while PI3K/AKT coordinates prosurvival effects. During embryonic development, MET signaling plays a role in gastrulation, development and migration of neuronal precursors, angiogenesis and kidney formation. During skeletal muscle development, it is crucial for the migration of muscle progenitor cells and for the proliferation of secondary myoblasts (By similarity). In adults, participates in wound healing as well as organ regeneration and tissue remodeling. Promotes also differentiation and proliferation of hematopoietic cells. May regulate cortical bone osteogenesis (By similarity)
- Specific Function
- Atp binding
- Gene Name
- MET
- Uniprot ID
- P08581
- Uniprot Name
- Hepatocyte growth factor receptor
- Molecular Weight
- 155540.035 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at March 19, 2008 16:24 / Updated at August 26, 2024 19:22