CHIR-98014

Ligand id: 8016

Name: CHIR-98014

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 149.71
Molecular weight 485.09
XLogP 3.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
Synonyms
CHIR 98014 | CHIR98014
Database Links
CAS Registry No. 252935-94-7
ChEMBL Ligand CHEMBL3185148
GtoPdb PubChem SID 249565696
PubChem CID 53396311
Search Google for chemical match using the InChIKey MDZCSIDIPDZWKL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MDZCSIDIPDZWKL
Search UniChem for chemical match using the InChIKey MDZCSIDIPDZWKL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MDZCSIDIPDZWKL
Comments
CHIR-98014 is a potent ATP-competitive inhibitor of glycogen synthase kinase-3α (GSK-3α) and GSK-3β [5].