AZ4800   Click here for help

GtoPdb Ligand ID: 7805

Synonyms: AZ 4800 | AZ-4800
Compound class: Synthetic organic
Comment: AZD4800 is one of several AstraZeneca gamma secretase modulators [1]. It has recently been used for targeting amyloid β production in a mouse model of Alzheimer's disease (AD) in combination with the BACE1 inhibitor AZ3971 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 82.8
Molecular weight 435.23
XLogP 2.64
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(ccc1n1cnc(c1)C)Nc1nc2CCOCc2c(n1)COC1CCCC1
Isomeric SMILES COc1cc(ccc1n1cnc(c1)C)Nc1nc2CCOCc2c(n1)COC1CCCC1
InChI InChI=1S/C24H29N5O3/c1-16-12-29(15-25-16)22-8-7-17(11-23(22)30-2)26-24-27-20-9-10-31-13-19(20)21(28-24)14-32-18-5-3-4-6-18/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3,(H,26,27,28)
Bioactivity Comments
The effect of AZ4800 on Aβ peptide generation has been measured in HEK/APPswe cells. AZ4800 (and AZ3303 and AZ1136) reduced Aβ40 as well as Aβ42 but appeared 2–15-fold more potent in reducing Aβ42 levels.
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
presenilin 1 Primary target of this compound Hs Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.6x10-8 M) [1]