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CHEBI:190969 - RepSox

ChEBI IDCHEBI:190969
ChEBI NameRepSox
Stars
DefinitionA member of the class of pyrazoles that is 1H-pyrazole substituted by 6-methylpyridin-2-yl and 1,5-naphthyridin-2-yl groups at positions 3 and 4, respectively. It is a potent and selective inhibitor of TGF-β R1 kinase (IC50 = 4 nM) and ALK5 autophosphorylation and binding (IC50 = 23 nM).
Last Modified25 June 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H13N5
Net Charge0
Average Mass287.326
Monoisotopic Mass287.11710
SMILESCc1cccc(-c2nncc2-c2ccc3ncccc3n2)n1
InChIInChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
InChIKeyLBPKYPYHDKKRFS-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Biological Roles:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
TGFbeta receptor antagonist  An antagonist that binds to and deactivates TGFβ receptors.
Applications:
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
RepSox (CHEBI:190969) has role antineoplastic agent (CHEBI:35610)
RepSox (CHEBI:190969) has role bone density conservation agent (CHEBI:50646)
RepSox (CHEBI:190969) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
RepSox (CHEBI:190969) has role TGFβ receptor antagonist (CHEBI:91202)
RepSox (CHEBI:190969) is a 1,5-naphthyridine derivative (CHEBI:73540)
RepSox (CHEBI:190969) is a pyrazoles (CHEBI:26410)
RepSox (CHEBI:190969) is a pyridines (CHEBI:26421)
IUPAC Name 
2-[3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine
Synonyms  Source
E616452ChEBI
E-616452ChEBI
E 616452ChEBI
2-(3-(6-methylpyridine-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridineChEBI
SJN 2511ChEBI
ALK5 Inhibitor IIChEBI
Manual XrefsDatabases
395681ChemSpider
HMDB0257156HMDB
RepSoxWikipedia
Registry NumbersSources
Reaxys:9782770Reaxys
CAS:446859-33-2ChEBI
Citations