KN-93

Ligand id: 6002

Name: KN-93

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 78.46
Molecular weight 500.15
XLogP 5.79
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-2-hydroxy-S'-(4-methoxyphenyl)ethane-1-sulfonamido
Database Links
CAS Registry No. 139298-40-1
ChEMBL Ligand CHEMBL155333
PubChem CID 5312122
Search Google for chemical match using the InChIKey LLLQTDSSHZREGW-AATRIKPKSA-N
Search Google for chemicals with the same backbone LLLQTDSSHZREGW
Search UniChem for chemical match using the InChIKey LLLQTDSSHZREGW-AATRIKPKSA-N
Search UniChem for chemicals with the same backbone LLLQTDSSHZREGW
Comments
KN-93 is a selective inhibitor of Ca2+/calmodulin-dependent kinase type II (CaMKII).