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
SMILES / InChI / InChIKey
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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)
InChI Key RMRFSIAFQBYBSN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(cyclopentyloxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
Synonyms Click here for help
AZ 4800 | AZ-4800
Database Links Click here for help
ChEMBL Ligand CHEMBL2151176
GtoPdb PubChem SID 223366136
PubChem CID 50996844
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