isogranulatimide   Click here for help

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.
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2D Structure
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Physico-chemical Properties
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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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
IZA | pyridone 6
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9687677
Reactome Reaction Reactome logo R-HSA-9687724
Other databases
CAS Registry No. 244148-46-7
ChEMBL Ligand CHEMBL413188
GtoPdb PubChem SID 178102613
PubChem CID 135418335
Search Google for chemical match using the InChIKey WXUJAQBSBZLVEV-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey WXUJAQBSBZLVEV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WXUJAQBSBZLVEV-UHFFFAOYSA-N