AZD1080

Chemical Information
AZD1080 is a member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain permeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now discontinued). It has a role as a tau aggregation inhibitor, an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a nitrile, a member of pyridines, a member of morpholines, a tertiary amino compound and a member of hydroxyindoles.
| CAS Number | 612487-72-6 |
| PubChem CID | 135564570 |
| IUPAC Name | 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile |
| Molecular Formula | C19H18N4O2 |
| Molecular Weight | 334.4 |
| XLogP | 1.8 |
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 501 |
| Property | Value |
|---|---|
| Molecular Weight | 334.4 |
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 334.14297583 |
| Monoisotopic Mass | 334.14297583 |
| Topological Polar Surface Area | 85.2 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 501 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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