binimetinib (CHEBI:145371)

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CHEBI:145371 - binimetinib

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ChEBI ID	CHEBI:145371
ChEBI Name	binimetinib
Stars
Definition	A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC₅₀= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib.
Last Modified	14 November 2019
Submitter	Adnan
Downloads	Molfile

Formula	C17H15BrF2N4O3
Net Charge	0
Average Mass	441.232
Monoisotopic Mass	440.02956
SMILES	Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21
InChI	InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
InChIKey	ACWZRVQXLIRSDF-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24). 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)
	binimetinib (CHEBI:145371) has role antineoplastic agent (CHEBI:35610)
	binimetinib (CHEBI:145371) has role apoptosis inducer (CHEBI:68495)
	binimetinib (CHEBI:145371) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
	binimetinib (CHEBI:145371) is a benzimidazoles (CHEBI:22715)
	binimetinib (CHEBI:145371) is a bromobenzenes (CHEBI:37149)
	binimetinib (CHEBI:145371) is a hydroxamic acid ester (CHEBI:75606)
	binimetinib (CHEBI:145371) is a monofluorobenzenes (CHEBI:83575)
	binimetinib (CHEBI:145371) is a secondary amino compound (CHEBI:50995)

IUPAC Name
5-(4-bromo-2-fluoroanilino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide

INNs	Source
binimetinib	WHO MedNet
binimetinibum	WHO MedNet
binimétinib	WHO MedNet
binimetinib	WHO MedNet

Synonyms	Source
MEK-162	DrugBank
ARRY-438162	DrugBank
MEK162	DrugBank
NVP-MEK162	DrugBank
ARRY-162	DrugBank
5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide	DrugBank

Brand Name	Source
Mektovi	KEGG DRUG

Manual Xrefs	Databases
DB11967	DrugBank
D10604	KEGG DRUG
Binimetinib	Wikipedia
LSM-45640	LINCS

Registry Numbers	Sources
CAS:606143-89-9	ChemIDplus

Citations