Daprodustat
2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
Molecular Identity
Daprodustat
2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
PubChem CID: 91617630
Daprodustat is a 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. It has a role as an EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor, an antiviral agent and an anti-anaemic agent. It is a secondary carboxamide, a N-acylglycine, a member of barbiturates and an oxo monocarboxylic acid.
2D Structure
Properties
C19H27N3O6
Molecular Formula
393.40
Molecular Weight
g/mol
393.1900
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
627
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Daprodustat960539-70-2GSK1278863GSK-1278863JESDUVROQDuvroqdaprodustatumJVR38ZM64BN-((1,3-Dicyclohexylhexahydro-2,4,6-trioxopyrimidin-5-yl)carbonyl)glycineDTXSID5013373602-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido]acetic acidGlycine, N-((1,3-dicyclohexylhexahydro-2,4,6-trioxo-5-pyrimidinyl)carbonyl)-2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acidN-[(1,3-Dicyclohexylhexahydro-2,4,6-trioxopyrimidin-5-yl)carbonyl]glycine2-((1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido)acetic acid
Data from PubChem (NCBI)
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