KN62

Ligand id: 4235

Name: KN62

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 146.84
Molecular weight 721.2
XLogP 5.54
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(2S)-2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate
Synonyms
KN 62 | KN-62 | KN62 (S isomer)
Database Links
CAS Registry No. 127191-97-3 (source: Scifinder)
ChEMBL Ligand CHEMBL28324
PubChem CID 5312126
Search Google for chemical match using the InChIKey RJVLFQBBRSMWHX-DHUJRADRSA-N
Search Google for chemicals with the same backbone RJVLFQBBRSMWHX
Search UniChem for chemical match using the InChIKey RJVLFQBBRSMWHX-DHUJRADRSA-N
Search UniChem for chemicals with the same backbone RJVLFQBBRSMWHX
Wikipedia KN-62
Comments
KN-62 is a selective, cell permeable inhibitor of Ca2+/calmodulin-dependent kinase type II (CaMKII) [4] and also acts as a non-competitive antagonist of the purinergic receptor P2RX7 [1]. For details of a non-isomeric form of this compound used in kinase screens please see our ligand entry KN-62.