binimetinib   

GtoPdb Ligand ID: 7921

Synonyms: ARRY 162 | ARRY-162 | ARRY-438162 | MEK-162 | MEK162 | Mektovi®
binimetinib is an approved drug (FDA and EMA (2018))
Compound class: Synthetic organic
Comment: Binimetinib is a potent non-ATP competitive inhibitor of MEK1/2 kinase activity [3] (link directly to abstract 794 online here).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 88.41
Molecular weight 440.03
XLogP 3.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1F)Br)F
Isomeric SMILES OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1F)Br)F
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)
InChI Key ACWZRVQXLIRSDF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2018))
IUPAC Name
6-[(4-bromo-2-fluorophenyl)amino]-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
International Nonproprietary Names
INN number INN
9764 binimetinib
Synonyms
ARRY 162 | ARRY-162 | ARRY-438162 | MEK-162 | MEK162 | Mektovi®
Database Links
CAS Registry No. 606143-89-9
ChEMBL Ligand CHEMBL3187723
DrugCentral Ligand 5290
GtoPdb PubChem SID 249565604
PubChem CID 10288191
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Wikipedia Binimetinib