Roxadustat (CED0006610)

Record Information

Version

1.0

Creation Date

2026-04-14 15:23:39 UTC

Update Date

2026-08-20 02:07:43 UTC

Accession Number

CHEM129026

Identification

Common Name

Roxadustat

Class

Small Molecule

Description

Roxadustat is an organic compound with the formula C19H16N2O5 and an average molecular weight of 352.35 g/mol. Roxadustat belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is used in healthcare, pharmaceuticals, and veterinary products as part of antianemic preparations and is administered via the oral exposure route. It acts on three recorded protein targets, serving as an inhibitor of Egl nine homolog 1 (EGLN1) as well as Prolyl hydroxylase EGLN2 and Prolyl hydroxylase EGLN3.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₁₆N₂O₅

Average Molecular Mass

352.346 g/mol

Monoisotopic Mass

352.106 g/mol

CAS Registry Number

808118-40-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=NC(C(=O)NCC(O)=O)=C(O)C2=C1C=C(OC1=CC=CC=C1)C=C2

InChI Identifier

InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)

InChI Key

YOZBGTLTNGAVFU-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00fv-4093000000-fb8a6b1f5c5136feaf02	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-2039000000-cd9969e5c612549fa9cc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0kdi-9383000000-67120c6cb116b502a371	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0kdi-9540000000-9bfcbf5f6815f9092e6c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-1039000000-dcf3074c074343cdd284	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0uk9-9176000000-50139d77372f96b0db6c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9210000000-b02695d1565ec7bc79cd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0059000000-3d77319b75aef996db69	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ufr-0091000000-87323b13a45ca4a787be	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01t9-4291000000-c099b202ce6031f5abb9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0089000000-d59a917c4ea946ce30c7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0090000000-0733bffe64d38b171dd9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006y-6790000000-16c22a0c320d254a9774	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
3876.0	Log mg/kg	[2200:6900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
276	Antianemic preparations	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathway

Roxadustat Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Thyroid hormone receptor beta	P10828	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Thyroid hormone receptor alpha	P10827	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Prolyl 4-hydroxylase	Q84406	Paramecium bursaria Chlorella virus 1	Predicted (SEA)	0.0778492
Click to view 3D structure	Gamma-butyrobetaine dioxygenase	O75936	Humans	Predicted (SEA)	0.467095
Click to view 3D structure	Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	Humans	Predicted (SEA)	0.934191
Click to view 3D structure	Gamma-butyrobetaine dioxygenase	P80193	Pseudomonas sp. (strain AK-1)	Predicted (SEA)	0.233548
Click to view 3D structure	Prolyl 3-hydroxylase OGFOD1	Q8N543	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Prolyl hydroxylase EGLN3	Q9H6Z9	Humans	Predicted (SEA)	4.43741
Click to view 3D structure	Sodium/calcium exchanger 1	P32418	Humans	Predicted (SEA)	3.34752
Click to view 3D structure	Egl nine homolog 1	P59722	Rattus norvegicus	Predicted (SEA)	1.40129
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	125.493
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	189.485
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	622.638
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	929.52
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	347.986
Click to view 3D structure	Apoptosis regulator Bcl-2	P10415	Humans	Predicted (SEA)	28.4928
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	256.902
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	354.058
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	89.7602
Click to view 3D structure	Macrophage metalloelastase	P39900	Humans	Predicted (SEA)	218.445
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	282.048
Click to view 3D structure	Prolyl hydroxylase EGLN2	Q96KS0	Humans	Predicted (SEA)	1.86838
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	1704.51
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	237.129