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CHEBI:90227 - selumetinib

ChEBI IDCHEBI:90227
ChEBI Nameselumetinib
Stars
DefinitionA 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-chlorophenyl)amino, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor.
Last Modified23 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H15BrClFN4O3
Net Charge0
Average Mass457.687
Monoisotopic Mass456.00001
SMILESCn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21
InChIInChI=1S/C17H15BrClFN4O3/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)
InChIKeyCYOHGALHFOKKQC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
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).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
selumetinib (CHEBI:90227) has role anticoronaviral agent (CHEBI:149553)
selumetinib (CHEBI:90227) has role antineoplastic agent (CHEBI:35610)
selumetinib (CHEBI:90227) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
selumetinib (CHEBI:90227) is a benzimidazoles (CHEBI:22715)
selumetinib (CHEBI:90227) is a bromobenzenes (CHEBI:37149)
selumetinib (CHEBI:90227) is a hydroxamic acid ester (CHEBI:75606)
selumetinib (CHEBI:90227) is a monochlorobenzenes (CHEBI:83403)
selumetinib (CHEBI:90227) is a organofluorine compound (CHEBI:37143)
selumetinib (CHEBI:90227) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide
INNs  Source
selumetinibWHO MedNet
selumetinibumWHO MedNet
sélumétinibWHO MedNet
selumetinibWHO MedNet
Synonyms  Source
ARRY-142886ChemIDplus
ARRY 142886ChemIDplus
AZD6244ChemIDplus
AZD 6244ChemIDplus
AZD-6244ChEBI
ARRY142886ChEBI
Manual XrefsDatabases
SelumetinibWikipedia
D09666KEGG DRUG
3EWPDBeChem
LSM-1056LINCS
Registry NumbersSources
Reaxys:11099648Reaxys
CAS:606143-52-6ChemIDplus
Citations