MEK inhibitor I

Ligand id: 6006

Name: MEK inhibitor I

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 134.25
Molecular weight 374.12
XLogP 3.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2Z)-3-amino-3-[(2-aminophenyl)sulfanyl]-2-{3-[hydroxy(pyridin-4-yl)methyl]phenyl}prop-2-enenitrile
Database Links
CAS Registry No. 297744-42-4
ChEMBL Ligand CHEMBL37493
PubChem CID 9951490
Search Google for chemical match using the InChIKey NHBMKTBZZSJUGA-HEHNFIMWSA-N
Search Google for chemicals with the same backbone NHBMKTBZZSJUGA
Search UniChem for chemical match using the InChIKey NHBMKTBZZSJUGA-HEHNFIMWSA-N
Search UniChem for chemicals with the same backbone NHBMKTBZZSJUGA
Comments
This is compound 41 in [3].