JNK inhibitor 9l

Ligand id: 9377

Name: JNK inhibitor 9l

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 93.46
Molecular weight 502.22
XLogP 3.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
Synonyms
JNK-9L
Database Links
BindingDB Ligand 50303646
ChEMBL Ligand CHEMBL585951
PubChem CID 25222038
RCSB PDB Ligand FMY
Search Google for chemical match using the InChIKey AHMHIFXJPSHHPH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AHMHIFXJPSHHPH
Search UniChem for chemical match using the InChIKey AHMHIFXJPSHHPH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AHMHIFXJPSHHPH
SynPHARM 83982 (in complex with mitogen-activated protein kinase 10)
Comments
JNK-9L is a selective and brain-penetrant c-jun-N-terminal kinase (JNK) inhibitor [1].