oncrasin-1 (CHEBI:178196)

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ChEBI Name	oncrasin-1

ChEBI ID	CHEBI:178196

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Ceara Rea

Supplier Information

Download	Molfile XML SDF

Formula

C16H12ClNO

Net Charge

Average Mass

269.730

Monoisotopic Mass

269.06074

InChI

InChI=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

InChIKey

ZDRQMXCSSAPUMM-UHFFFAOYSA-N

SMILES

[H]C(=O)C1=CN(CC2=CC=C(Cl)C=C2)C2=CC=CC=C12

Roles Classification
Biological Role(s):	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	Sources
1-(p-chlorobenzyl)-1H-indole-3-carbaldehyde	ChEBI
1-[(4-chlorophenyl)methyl]-1H-indole-3-carbaldehyde	IUPAC
ONC-1	ChEBI
oncrasin 1	ChEBI

Registry Number	Type	Source
75629-57-1	CAS Registry Number	ChEBI

Last Modified

09 September 2021