ENARODUSTAT


Synonyms	Enarodustat JTZ-951 Jtz-951
Status
Molecule Category	UNKNOWN
UNII	JSK7TUA223


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	NALAUGMPMIVAOW-UHFFFAOYSA-N
Smiles	O=C(O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
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/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H16N4O4
Molecular Weight	340.34
AlogP	1.03
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	116.82
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	25.0

Bioactivity

Mechanism of Action	Action	Reference
Egl nine homolog 1 inhibitor	INHIBITOR	PubMed


Protein: Egl nine homolog 1 Description: Egl nine homolog 1 Organism : Homo sapiens Q9GZT9 ENSG00000135766

Cross References

Resources	Reference
ChEMBL	CHEMBL4297619
DrugBank	DB14985
FDA SRS	JSK7TUA223
PubChem	50899324
SureChEMBL	SCHEMBL1481440

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).