AZD1080   Click here for help

GtoPdb Ligand ID: 7819

Synonyms: AZD 1080 | AZD-1080 | KB-160506
Compound class: Synthetic organic
Comment: AZD1080 is a selective, orally active, brain permeable GSK3 inhibitor, investigated in Phase I clinical trial for Alzheimer's disease. Development was subsequently discontinued.
This compound was in the AstraZeneca/MRC repurposing list from 2011
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 65.36
Molecular weight 334.14
XLogP 1.45
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES N#Cc1ccc2c(c1)C(=c1ccc(c[nH]1)CN1CCOCC1)C(=O)N2
Isomeric SMILES N#Cc1ccc2c(c1)/C(=c\1/ccc(c[nH]1)CN1CCOCC1)/C(=O)N2
InChI InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,21H,5-8,12H2,(H,22,24)/b18-17+
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
glycogen synthase kinase 3 alpha Primary target of this compound Hs Inhibitor Inhibition 8.2 pKi - 1
pKi 8.2 (Ki 6.9x10-9 M) [1]
glycogen synthase kinase 3 beta Primary target of this compound Hs Inhibitor Inhibition 7.5 pKi - 1
pKi 7.5 (Ki 3.1x10-8 M) [1]