CHEBI:90227 - selumetinib

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ChEBI Name selumetinib
ChEBI ID CHEBI:90227
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-chlorophenyl)amino, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H15BrClFN4O3
Net Charge 0
Average Mass 457.682
Monoisotopic Mass 456.000
InChI InChI=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)
InChIKey CYOHGALHFOKKQC-UHFFFAOYSA-N
SMILES N1(C=NC2=C1C=C(C(=C2F)NC3=CC=C(C=C3Cl)Br)C(=O)NOCCO)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
selumetinib WHO MedNet
sélumétinib WHO MedNet
selumetinib WHO MedNet
selumetinibum WHO MedNet
Synonyms Sources
ARRY 142886 ChemIDplus
ARRY-142886 ChemIDplus
ARRY142886 ChEBI
AZD 6244 ChemIDplus
AZD-6244 ChEBI
AZD6244 ChemIDplus
Manual Xrefs Databases
3EW PDBeChem
D09666 KEGG DRUG
LSM-1056 LINCS
Selumetinib Wikipedia
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Registry Numbers Types Sources
11099648 Reaxys Registry Number Reaxys
606143-52-6 CAS Registry Number ChemIDplus
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Last Modified
24 February 2016