MK-5108

Ligand id: 8061

Name: MK-5108

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 112.58
Molecular weight 461.1
XLogP 5.1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
Synonyms
MK5108 | VX-689 | VX689
Database Links
CAS Registry No. 1010085-13-8
ChEMBL Ligand CHEMBL3182444
PubChem CID 24748204
Search Google for chemical match using the InChIKey LCVIRAZGMYMNNT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LCVIRAZGMYMNNT
Search UniChem for chemical match using the InChIKey LCVIRAZGMYMNNT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LCVIRAZGMYMNNT
SynPHARM 81109 (in complex with aurora kinase A)
Comments
MK-5108 is a potent and selective inhibitor of Aurora kinase A (AURKA) [1].