isogranulatimide   

GtoPdb Ligand ID: 5991

Synonyms: IZA | pyridone 6
Compound class: Synthetic organic
Comment: 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.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 83.02
Molecular weight 276.06
XLogP 3.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=c1[nH]c(=O)c2c1c1c3ccccc3[nH]c1n1c2cnc1
Isomeric SMILES O=c1[nH]c(=O)c2c1c1c3ccccc3[nH]c1n1c2cnc1
InChI InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)
InChI Key WXUJAQBSBZLVEV-UHFFFAOYSA-N
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
GtoPdb PubChem SID 178102613
PubChem CID 6419741
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