enarodustat   Click here for help

GtoPdb Ligand ID: 11828

Synonyms: compound 14 [PMID: 29259755] | Enaroy® | JTZ-951 | JTZ951
Approved drug
enarodustat is an approved drug
Compound class: Synthetic organic
Comment: Enarodustat (JTZ-951) is an orally active inhibitor of hypoxia-inducible factor prolyl hydroxylase (HIF-PH) enzyme activity [3]. Inhibition of prolyl hydroxylation of HIF transcription factors is used as an alternative to erythropoiesis-stimulating agents (epoetin, darbepoetin) for the treatment of anaemia resulting from chronic kidnery disease [1,4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 116.56
Molecular weight 340.12
XLogP 2.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CNC(=O)c1c(=O)cc(n2c1nc[nH]2)CCc1ccccc1
Isomeric SMILES c1ccc(cc1)CCc1cc(=O)c(c2n1[nH]cn2)C(=O)NCC(=O)O
InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)
InChI Key FJYRBJKWDXVHHO-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel