AZD4619   Click here for help

GtoPdb Ligand ID: 7821

Synonyms: AZ11942571 | AZD 4619 | AZD-4619
Compound class: Synthetic organic
Comment: AZD4619 is a potent, selective and reversible orally bioavailable PPARα receptor agonist.
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 4
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 123.58
Molecular weight 514.15
XLogP 4.86
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(cc1)CCSC(C(=O)O)Cc1ccc(cc1)CCOc1ccc(cc1)OS(=O)(=O)C
Isomeric SMILES Cc1ccc(cc1)CCSC(C(=O)O)Cc1ccc(cc1)CCOc1ccc(cc1)OS(=O)(=O)C
InChI InChI=1S/C27H30O6S2/c1-20-3-5-22(6-4-20)16-18-34-26(27(28)29)19-23-9-7-21(8-10-23)15-17-32-24-11-13-25(14-12-24)33-35(2,30)31/h3-14,26H,15-19H2,1-2H3,(H,28,29)
InChI Key CIHMPKKTGUOBBS-UHFFFAOYSA-N
References
1. MRC. 
PPARα receptor agonist.
Accessed on 28/10/2014. Modified on 28/10/2014. MRC/AstraZeneca: Mechanisms of Disease Call, http://webarchive.nationalarchives.gov.uk/20120104105854/http://www.mrc.ac.uk/consumption/groups/public/documents/content/mrc008368.pdf