CK-666 (CHEBI:78843)

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ChEBI Name	CK-666

ChEBI ID	CHEBI:78843

Definition	A member of the class of indoles that is 2-methyltryptamine in which a hydrogen attached to the primary amino group has been replaced by a 2-fluorobenzoyl group. It is a cell-permeable inhibitor of actin assembly mediated by actin-related protein Arp2/3 complex which works by binding to Arp2/3 complex, stabilising the inactive state of the complex and preventing its movement into the active conformation.

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

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Formula

C18H17FN2O

Net Charge

Average Mass

296.345

Monoisotopic Mass

296.13249

InChI

InChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)

InChIKey

UXRKUKRXVWJFER-UHFFFAOYSA-N

SMILES

CC1=C(CCNC(=O)C2=C(F)C=CC=C2)C2=C(N1)C=CC=C2

Roles Classification
Biological Role(s):	actin polymerisation inhibitor Any substance that inhibits the polymerisation of the protein actin.

ChEBI Ontology
Outgoing	CK-666 (CHEBI:78843) has role actin polymerisation inhibitor (CHEBI:70728) CK-666 (CHEBI:78843) is a benzamides (CHEBI:22702) CK-666 (CHEBI:78843) is a indoles (CHEBI:24828) CK-666 (CHEBI:78843) is a organofluorine compound (CHEBI:37143)

IUPAC Name

2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

Registry Number	Type	Source
19720234	Reaxys Registry Number	Reaxys

Last Modified

11 June 2021