selumetinib

Ligand id: 5665

Name: selumetinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 88.41
Molecular weight 456
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide
International Nonproprietary Names
INN number INN
9078 selumetinib
Synonyms
ARRY-142886 | ARRY-886 | AZD6244 | NSC 741O78
Database Links
CAS Registry No. 606143-52-6
ChEMBL Ligand CHEMBL1614701
PubChem CID 10127622
RCSB PDB Ligand 3EW
Search Google for chemical match using the InChIKey CYOHGALHFOKKQC-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey CYOHGALHFOKKQC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CYOHGALHFOKKQC
SynPHARM 80157 (in complex with mitogen-activated protein kinase kinase 1)
Wikipedia Selumetinib
Comments
Selumetinib is a specific MEK1/2 inhibitor [3].