PLX-4720 (CHEBI:90295)

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ChEBI Name	PLX-4720

ChEBI ID	CHEBI:90295

Definition	A pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E).

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

Submitter	Bijay

Supplier Information

Download	Molfile XML SDF

Formula

C17H14ClF2N3O3S

Net Charge

Average Mass

413.828

Monoisotopic Mass

413.04125

InChI

InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)

InChIKey

YZDJQTHVDDOVHR-UHFFFAOYSA-N

SMILES

C(CC)S(NC1=CC=C(C(=C1F)C(C=2C3=C(N=CC(=C3)Cl)NC2)=O)F)(=O)=O

Roles Classification
Biological Role(s):	B-Raf inhibitor A serine/threonine kinase inhibitor that specifically inhibits human mutant serine/threonine kinase (B-Raf)

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

ChEBI Ontology
Outgoing	PLX-4720 (CHEBI:90295) has role antineoplastic agent (CHEBI:35610) PLX-4720 (CHEBI:90295) has role B-Raf inhibitor (CHEBI:75047) PLX-4720 (CHEBI:90295) is a aromatic ketone (CHEBI:76224) PLX-4720 (CHEBI:90295) is a difluorobenzene (CHEBI:38582) PLX-4720 (CHEBI:90295) is a organochlorine compound (CHEBI:36683) PLX-4720 (CHEBI:90295) is a pyrrolopyridine (CHEBI:46771) PLX-4720 (CHEBI:90295) is a sulfonamide (CHEBI:35358)

IUPAC Name

N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide

Synonyms	Sources
N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide	ChemIDplus
PLX 4720	ChemIDplus
PLX4720	ChemIDplus

Last Modified

24 February 2016