binimetinib   Click here for help

GtoPdb Ligand ID: 7921

Synonyms: ARRY 162 | ARRY-162 | ARRY-438162 | MEK-162 | MEK162 | Mektovi®
Approved drug PDB Ligand
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).
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2D Structure
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Physico-chemical Properties
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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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2018))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9764 binimetinib
Synonyms Click here for help
ARRY 162 | ARRY-162 | ARRY-438162 | MEK-162 | MEK162 | Mektovi®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9657530
Reactome Reaction Reactome logo R-HSA-9657606
Other databases
CAS Registry No. 606143-89-9
ChEMBL Ligand CHEMBL3187723
DrugCentral Ligand 5290
GtoPdb PubChem SID 249565604
PubChem CID 10288191
Search Google for chemical match using the InChIKey ACWZRVQXLIRSDF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ACWZRVQXLIRSDF
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UniChem Compound Search for chemical match using the InChIKey ACWZRVQXLIRSDF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ACWZRVQXLIRSDF-UHFFFAOYSA-N
Wikipedia Binimetinib