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CHEBI:229223 - daprodustat

ChEBI IDCHEBI:229223
ChEBI Namedaprodustat
Stars
DefinitionA member of the class of barbiturates that is barbituric acid substituted by cyclohexyl groups at positions 1 and 3, and by a (carboxymethyl)aminocarbonyl group at position 5. It is an inhibitor of hypoxia-inducible factor prolyl hydroxylase developed by GlaxoSmithKline for the treatment of anaemia in patients with chronic kidney disease.
Last Modified16 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC19H27N3O6
Net Charge0
Average Mass393.440
Monoisotopic Mass393.18999
SMILESO=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)
InChIKeyRUEYEZADQJCKGV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
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).
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
Applications:
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
ChEBI Ontology
Outgoing Relation(s)
daprodustat (CHEBI:229223) has role anti-anaemic agent (CHEBI:75835)
daprodustat (CHEBI:229223) has role antiviral agent (CHEBI:22587)
daprodustat (CHEBI:229223) has role EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor (CHEBI:102248)
daprodustat (CHEBI:229223) is a N-acylglycine (CHEBI:16180)
daprodustat (CHEBI:229223) is a barbiturates (CHEBI:22693)
daprodustat (CHEBI:229223) is a oxo monocarboxylic acid (CHEBI:35871)
daprodustat (CHEBI:229223) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-[(1,3-dicyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)carbonyl]glycine
INNs  Source
daprodustatWHO MedNet
daprodustatWHO MedNet
daprodustatWHO MedNet
daprodustatumWHO MedNet
Synonyms  Source
{[(1,3-dicyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)carbonyl]amino}acetic acidIUPAC
GSK1278863DrugBank
GSK 1278863ChEBI
GSK-1278863DrugBank
Brand Name  Source
JesduvroqDrugBank
Manual XrefsDatabases
DB11682DrugBank
HMDB0250863HMDB
D10874KEGG DRUG
DaprodustatWikipedia
Registry NumbersSources
CAS:960539-70-2KEGG DRUG
Citations