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CHEBI:137064 - LY-2157299

ChEBI IDCHEBI:137064
ChEBI NameLY-2157299
Stars
DefinitionA pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-βRI (TGF-βRI) kinase inhibitor, it blocks TGF-β-mediated tumor growth in glioblastoma.
Last Modified1 June 2017
Submittersabrina, zfin
DownloadsMolfile
FormulaC22H19N5O
Net Charge0
Average Mass369.428
Monoisotopic Mass369.15896
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1
InChIInChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
InChIKeyIVRXNBXKWIJUQB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
TGFbeta receptor antagonist  An antagonist that binds to and deactivates TGFβ receptors.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
LY-2157299 (CHEBI:137064) has role antineoplastic agent (CHEBI:35610)
LY-2157299 (CHEBI:137064) has role TGFβ receptor antagonist (CHEBI:91202)
LY-2157299 (CHEBI:137064) is a aromatic amide (CHEBI:62733)
LY-2157299 (CHEBI:137064) is a methylpyridines (CHEBI:25340)
LY-2157299 (CHEBI:137064) is a monocarboxylic acid amide (CHEBI:29347)
LY-2157299 (CHEBI:137064) is a pyrrolopyrazole (CHEBI:46866)
LY-2157299 (CHEBI:137064) is a quinolines (CHEBI:26513)
IUPAC Name 
4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
INNs  Source
galunisertibWHO MedNet
galunisertibWHO MedNet
galunisertibWHO MedNet
galunisertibumWHO MedNet
Synonyms  Source
LY2157299SUBMITTER
LY 2157299SUBMITTER
Manual XrefsDatabases
GalunisertibWikipedia
D10437KEGG DRUG
Registry NumbersSources
Reaxys:14275134Reaxys
CAS:700874-72-2KEGG DRUG
Citations