refametinib

Ligand id: 7942

Name: refametinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 116.27
Molecular weight 572.01
XLogP 2.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
International Nonproprietary Names
INN number INN
9530 refametinib
Synonyms
BAY-869766 | RDEA119
Database Links
PubChem CID 44182295
RCSB PDB Ligand VRA
Search Google for chemical match using the InChIKey RDSACQWTXKSHJT-NSHDSACASA-N
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Search UniChem for chemical match using the InChIKey RDSACQWTXKSHJT-NSHDSACASA-N
Search UniChem for chemicals with the same backbone RDSACQWTXKSHJT
SynPHARM 80845 (in complex with mitogen-activated protein kinase kinase 1)
Comments
Refametinib (BAY-869766) is a potent and selective, allosteric inhibitor of MEK1/2 with potential antineoplastic activity [1].