ROXADUSTAT

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Synonyms
Status
Molecule Category Free-form
ATC B03XA05
UNII X3O30D9YMX
EPA CompTox DTXSID60230644

Structure

InChI Key YOZBGTLTNGAVFU-UHFFFAOYSA-N
Smiles Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16N2O5
Molecular Weight 352.35
AlogP 2.86
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 108.75
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Hypoxia-inducible factor prolyl hydroxylase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 27-591.4 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 27-591.4 - - -

Cross References

Resources Reference
ChEBI 132774
ChEMBL CHEMBL2338329
DrugBank DB04847
DrugCentral 5371
FDA SRS X3O30D9YMX
Guide to Pharmacology 8454
PDB 8HO
SureChEMBL SCHEMBL523705
ZINC ZINC000071257465
CONTENTS