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CHEBI:132774 - roxadustat

Default Structure
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).
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
ChEBI Ontology
Outgoing Relation(s)
roxadustat (CHEBI:132774) has role anti-anaemic agent (CHEBI:75835)
roxadustat (CHEBI:132774) has role antineoplastic agent (CHEBI:35610)
roxadustat (CHEBI:132774) has role cardiovascular drug (CHEBI:35554)
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) has role renoprotective agent (CHEBI:231911)
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
ASP-1517ChEMBL
ASP1517SUBMITTER
FG 4592ChemIDplus
FG-4592ChemIDplus
FG4592ChEBI
HIF prolyl-hydroxylase inhibitorSUBMITTER
Brand Name  Source
EvrenzoChEMBL
Manual XrefsDatabases
D10593KEGG DRUG
Registry NumbersSources
Reaxys:23352808Reaxys
CAS:808118-40-3ChemIDplus
CAS:808118-40-3KEGG DRUG
Citations