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CHEBI:132774 - roxadustat

ChEBI IDCHEBI:132774
ChEBI Nameroxadustat
Stars
DefinitionAn N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylic acid. It is an inhibitor of hypoxia inducible factor prolyl hydroxylase (HIF-PH).
Last Modified21 July 2016
Submittersabrina, zfin
DownloadsMolfile
FormulaC19H16N2O5
Net Charge0
Average Mass352.346
Monoisotopic Mass352.10592
SMILESCc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12
InChIInChI=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)
InChIKeyYOZBGTLTNGAVFU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor  An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of procollagen-proline dioxygenase (EC 1.14.11.2).
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor  An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of hypoxia-inducible factor-proline dioxygenase (EC 1.14.11.29).
ChEBI Ontology
Outgoing Relation(s)
roxadustat (CHEBI:132774) has role EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor (CHEBI:132365)
roxadustat (CHEBI:132774) has role EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor (CHEBI:102248)
roxadustat (CHEBI:132774) is a N-acylglycine (CHEBI:16180)
roxadustat (CHEBI:132774) is a aromatic ether (CHEBI:35618)
roxadustat (CHEBI:132774) is a isoquinolines (CHEBI:24922)
IUPAC Name 
N-[(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]glycine
INNs  Source
roxadustatWHO MedNet
roxadustatWHO MedNet
roxadustatWHO MedNet
roxadustatumWHO MedNet
Synonyms  Source
ASP1517SUBMITTER
FG 4592ChemIDplus
FG-4592ChemIDplus
FG4592ChEBI
HIF prolyl-hydroxylase inhibitorSUBMITTER
Manual XrefsDatabases
D10593KEGG DRUG
Registry NumbersSources
Reaxys:23352808Reaxys
CAS:808118-40-3ChemIDplus
CAS:808118-40-3KEGG DRUG
Citations