CHEBI:132774 - roxadustat

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ChEBI Name roxadustat
ChEBI ID CHEBI:132774
Definition An 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sabrina Toro
Supplier Information
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Formula C19H16N2O5
Net Charge 0
Average Mass 352.341
Monoisotopic Mass 352.10592
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)
InChIKey YOZBGTLTNGAVFU-UHFFFAOYSA-N
SMILES O(C=1C=CC2=C(C1)C(=NC(=C2O)C(NCC(O)=O)=O)C)C=3C=CC=CC3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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).
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).
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ChEBI Ontology
Outgoing 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 Sources
roxadustat WHO MedNet
roxadustat WHO MedNet
roxadustat WHO MedNet
roxadustatum WHO MedNet
Synonyms Sources
ASP1517 SUBMITTER
FG 4592 ChemIDplus
FG-4592 ChemIDplus
FG4592 ChEBI
HIF prolyl-hydroxylase inhibitor SUBMITTER
Manual Xref Database
D10593 KEGG DRUG
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Registry Numbers Types Sources
23352808 Reaxys Registry Number Reaxys
808118-40-3 CAS Registry Number KEGG DRUG
808118-40-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
26238121 PubMed citation Europe PMC
26494833 PubMed citation Europe PMC
26707978 PubMed citation Europe PMC
26808067 PubMed citation Europe PMC
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26947173 PubMed citation Europe PMC
27021233 PubMed citation Europe PMC
27082295 PubMed citation Europe PMC
27091985 PubMed citation Europe PMC
27094610 PubMed citation Europe PMC
27352308 PubMed citation Europe PMC
Last Modified
21 July 2016