AZD9567   Click here for help

GtoPdb Ligand ID: 9812

Synonyms: AZD 9567 | AZD-9567 | compound 15 [PMID: 29424542] | example 1 [WO2016046260A1] [2]
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AZD9567 is a synthetic, selective glucocorticoid receptor (GR) partial agonist [1]. It was designed to offer an improved side-effect profile compared to conventional full agonist GR anti-inflammatory dugs. AZD9567 is one of the chemical structures claimed in patent WO2016046260A1 [2].
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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 9
Topological polar surface area 77.63
Molecular weight 494.21
XLogP 5.94
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC(C(C(c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C)NC(=O)C(F)(F)C)C
Isomeric SMILES CC([C@@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C)NC(=O)C(F)(F)C)C
InChI InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1
InChI Key ZQFNDBISEYQVRR-LOSJGSFVSA-N
Immunopharmacology Comments
AZD9567 is a highly selective GR modulator (partial agonist) with low risk for off-target effects .
Immunopharmacology Disease
Disease X-Refs Comment References
Rheumatoid arthritis Disease Ontology: DOID:7148
OMIM: 180300
Phase 2 clinical candidate for RA- see NCT03368235