isogranulatimide

Ligand id: 5991

Name: isogranulatimide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 79.78
Molecular weight 276.06
XLogP 1.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,4,9,19-tetraazapentacyclo[10.7.0.0^{2,6}.0^{7,11}.0^{13,18}]nonadeca-1(12),3,5,7(11),13,15,17-heptaene-8,10-dione
Synonyms
IZA | pyridone 6
Database Links
CAS Registry No. 244148-46-7
ChEMBL Ligand CHEMBL413188
PubChem CID 6419741
Search Google for chemical match using the InChIKey WXUJAQBSBZLVEV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WXUJAQBSBZLVEV
Search UniChem for chemical match using the InChIKey WXUJAQBSBZLVEV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WXUJAQBSBZLVEV
Comments
Isogranulatimide inhibits the enzymatic activity of Chk1 and GSK-3β tyrosine kinases [5-6]. It is an ATP-competitive inhibitor with potent and reversible activity.