GSK-J4

Ligand id: 8979

Name: GSK-J4

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 80.24
Molecular weight 417.22
XLogP 5.83
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Is prodrug? Yes
Active form GSK-J1
IUPAC Name
ethyl 3-{[2-(pyridin-2-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoate
Synonyms
GSK J4 | GSKJ4
Database Links
CAS Registry No. 1373423-53-0 (source: PubChem)
ChEMBL Ligand CHEMBL3183531
PubChem CID 71729975
Search Google for chemical match using the InChIKey WBKCKEHGXNWYMO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WBKCKEHGXNWYMO
Search UniChem for chemical match using the InChIKey WBKCKEHGXNWYMO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WBKCKEHGXNWYMO
Comments
GSK-J4 is a cell permeable inhibitor of the histone lysine demethylase KDM6 enzymes, lysine (K)-specific demethylase 6A and 6B (common abbrevations UTX and JMJD3 respectively) [1]. It is the ethyl ester prodrug of GSK-J1. GSK-J4 blocks demethylation of histone H3K27.