EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83405 - GDC-0879

ChEBI IDCHEBI:83405
ChEBI NameGDC-0879
Stars
DefinitionA member of the class of pyrazoles that is 1-(2-hydroxyethyl)pyrazole carrying additional 4-pyridyl and 1-(hydroxyimino)indan-5-yl substituents at positions 3 and 4 respectively.
Last Modified15 July 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC19H18N4O2
Net Charge0
Average Mass334.379
Monoisotopic Mass334.14298
SMILESOCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1
InChIInChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+
InChIKeyDEZZLWQELQORIU-RELWKKBWSA-N
Roles Classification
Biological Role:
B-Raf inhibitor  A serine/threonine kinase inhibitor that specifically inhibits human mutant serine/threonine kinase (B-Raf)
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
GDC-0879 (CHEBI:83405) has role antineoplastic agent (CHEBI:35610)
GDC-0879 (CHEBI:83405) has role B-Raf inhibitor (CHEBI:75047)
GDC-0879 (CHEBI:83405) is a indanes (CHEBI:46940)
GDC-0879 (CHEBI:83405) is a ketoxime (CHEBI:24983)
GDC-0879 (CHEBI:83405) is a primary alcohol (CHEBI:15734)
GDC-0879 (CHEBI:83405) is a pyrazoles (CHEBI:26410)
GDC-0879 (CHEBI:83405) is a pyridines (CHEBI:26421)
IUPAC Name 
2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol
Manual XrefsDatabases
29LPDBeChem
Registry NumbersSources
Reaxys:18850224Reaxys
Citations