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CHEBI:178196 - oncrasin-1

ChEBI IDCHEBI:178196
ChEBI Nameoncrasin-1
Stars
DefinitionA member of the class of indoles that is 1H-indole substituted by 4-chlorobenzyl and formyl groups at positions 1 and 3, respectively. It is an anti-cancer agent that is active against lung cancer cells with K-Ras mutations.
Last Modified9 September 2021
SubmitterCeara
DownloadsMolfile
FormulaC16H12ClNO
Net Charge0
Average Mass269.731
Monoisotopic Mass269.06074
SMILES[H]C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H12ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10-11H,9H2
InChIKeyZDRQMXCSSAPUMM-UHFFFAOYSA-N
Roles Classification
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
oncrasin-1 (CHEBI:178196) has role antineoplastic agent (CHEBI:35610)
oncrasin-1 (CHEBI:178196) has role apoptosis inducer (CHEBI:68495)
oncrasin-1 (CHEBI:178196) is a arenecarbaldehyde (CHEBI:33855)
oncrasin-1 (CHEBI:178196) is a indoles (CHEBI:24828)
oncrasin-1 (CHEBI:178196) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
1-(4-chlorobenzyl)-1H-indole-3-carbaldehyde
Synonyms  Source
1-[(4-chlorophenyl)methyl]-1H-indole-3-carbaldehydeIUPAC
oncrasin 1ChEBI
ONC-1ChEBI
1-(p-chlorobenzyl)-1H-indole-3-carbaldehydeChEBI
Manual XrefsDatabases
US2009286847Patent
761753ChemSpider
Registry NumbersSources
CAS:75629-57-1ChEBI
Citations