Roxadustat
2-[(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)amino]acetic acid
Molecular Identity
Roxadustat
2-[(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)amino]acetic acid
PubChem CID: 11256664
Roxadustat is 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). It has a role as an EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor and an EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor. It is a N-acylglycine, a member of isoquinolines and an aromatic ether.
2D Structure
Properties
C19H16N2O5
Molecular Formula
352.30
Molecular Weight
g/mol
352.1059
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
508
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Roxadustat808118-40-3FG-4592FG4592EvrenzoASP 1517ASP1517ASP-1517X3O30D9YMXroxadustatumFG 4592(((4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl)amino)acetic acidCHEBI:132774DTXSID60230644N-[(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]glycine
Data from PubChem (NCBI)
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Drug Network
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