JNK-IN-8

Ligand id: 8058

Name: JNK-IN-8

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 112.14
Molecular weight 507.24
XLogP 4.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Database Links
CAS Registry No. 1410880-22-6
ChEMBL Ligand CHEMBL2216824
PubChem CID 57340686
Search Google for chemical match using the InChIKey GJFCSAPFHAXMSF-UXBLZVDNSA-N
Search Google for chemicals with the same backbone GJFCSAPFHAXMSF
Search UniChem for chemical match using the InChIKey GJFCSAPFHAXMSF-UXBLZVDNSA-N
Search UniChem for chemicals with the same backbone GJFCSAPFHAXMSF
Comments
JNK-IN-8 is an investigational inhibitor of the mitogen-activated protein kinases, JNK1, 2 and 3 [1].