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
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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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+
InChI Key JULOXTBHCHEFBE-ISLYRVAYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3E)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile
Synonyms Click here for help
AZD 1080 | AZD-1080 | KB-160506
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9687660
Reactome Reaction Reactome logo R-HSA-9687724
Other databases
CAS Registry No. 612487-72-6
GtoPdb PubChem SID 223366150
PubChem CID 16678118
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