Selumetinib
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
Molecular Identity
Selumetinib
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
PubChem CID: 10127622
Selumetinib is 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. It has a role as an anticoronaviral agent, an antineoplastic agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of benzimidazoles, an organofluorine compound, a member of bromobenzenes, a secondary amino compound, a hydroxamic acid ester and a member of monochlorobenzenes.
2D Structure
Properties
C17H15BrClFN4O3
Molecular Formula
457.70
Molecular Weight
g/mol
456.0000
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
88.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
523
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Selumetinib606143-52-6AZD6244ARRY-1428865-[(4-BROMO-2-CHLOROPHENYL)AMINO]-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXAMIDEAZD 6244AZD-6244ARRY-886selumetinibum6UH91I579UARRY142886DTXSID3048944DTXCID0028870CHEBI:902271H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-
Data from PubChem (NCBI)
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