VADADUSTAT

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Synonyms
Status
Molecule Category Free-form
UNII I60W9520VV

Structure

InChI Key JGRXMPYUTJLTKT-UHFFFAOYSA-N
Smiles O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O
InChI
InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H11ClN2O4
Molecular Weight 306.71
AlogP 1.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 99.52
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Egl nine homolog 1 inhibitor INHIBITOR Other PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 29-390 - 280 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 29-390 - - -
Paramecium bursaria Chlorella virus 1
- - - 280 -

Target Conservation

Protein: Hypoxia-inducible factor prolyl hydroxylase 1
Description: Prolyl hydroxylase EGLN2
Organism : Homo sapiens
Q96KS0 ENSG00000269858
Protein: Egl nine homolog 1
Description: Egl nine homolog 1
Organism : Homo sapiens
Q9GZT9 ENSG00000135766
Protein: Egl nine homolog 3
Description: Prolyl hydroxylase EGLN3
Organism : Homo sapiens
Q9H6Z9 ENSG00000129521

Cross References

Resources Reference
ChEMBL CHEMBL3646221
DrugBank DB12255
FDA SRS I60W9520VV
PDB A1Z
PubChem 23634441
SureChEMBL SCHEMBL1920738
ZINC ZINC000117532869
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