roxadustat   Click here for help

GtoPdb Ligand ID: 8454

Synonyms: ASP-1517 | ASP1517 | Evrenzo® | FG-4592 | FG4592
Approved drug PDB Ligand
roxadustat is an approved drug (EMA (2021))
Compound class: Synthetic organic
Comment: Roxadustat is a compound which inhibits hypoxia inducible factor prolyl hydroxylase (HIF-PH) activity. HIF-PH inhibitors are being investigated as novel therapies for anemia, especially anemia caused by chronic kindney disease (CKD) [2]. It is hoped that HIF-PH inhibitors will provide a more effective alternative to the use of erythropoetin replacement therapy plus iron supplementation in CKD patients.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 108.75
Molecular weight 352.11
XLogP 0.99
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)CNC(=O)c1nc(C)c2c(c1O)ccc(c2)Oc1ccccc1
Isomeric SMILES OC(=O)CNC(=O)c1nc(C)c2c(c1O)ccc(c2)Oc1ccccc1
InChI InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
Bioactivity Comments
We have been unable to find an ihibitory constant for roxadustat's inhibition of HIF-PHs (EGLN1-3). Associated patents examine stabilisation of HIF-1α or increased erythropoietin levels as markers of HIF-PH inhibition.
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
egl-9 family hypoxia inducible factor 2 Hs Inhibitor Inhibition - - - 3
Targets where the ligand is described in the comment field
Target Comment