Voxelotor (CED0008854)

Record Information

Version

1.0

Creation Date

2026-04-14 20:02:10 UTC

Update Date

2026-08-20 02:38:53 UTC

Accession Number

CHEM132693

Identification

Common Name

Voxelotor

Class

Small Molecule

Description

Voxelotor is an organic compound with the formula C19H19N3O3 and an average molecular weight of 337.38 g/mol. Voxelotor belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It is categorized as a hematological agent within healthcare, pharmaceuticals, and veterinary products, with oral administration as the recorded exposure route. Regarding its biological activity, Voxelotor acts as a binder of the protein target Hemoglobin subunit alpha (HBA1).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₁₉N₃O₃

Average Molecular Mass

337.379 g/mol

Monoisotopic Mass

337.143 g/mol

CAS Registry Number

1446321-46-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)N1N=CC=C1C1=C(COC2=CC=CC(O)=C2C=O)C=CC=N1

InChI Identifier

InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3

InChI Key

FWCVZAQENIZVMY-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 LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f79-0779000000-28300b37c590db886261	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pk9-0972000000-aef89ef9d09fcfc9a120	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0gw0-0920000000-486e70cbdc3a27be5c55	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0619000000-5ad69eeab82cdac29001	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4r-1900000000-7b38771f2b88976d0b27	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-3910000000-3fc6877c22c97efd773f	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
546.0	Log mg/kg	[310:970]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
283	Hematological agents	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathway

Voxelotor Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	433.776
Click to view 3D structure	Cytochrome b	P24964	Sus scrofa	Predicted (SEA)	8.09632
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	4811.16
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	4414.21
Click to view 3D structure	Tyrosine-protein kinase HCK	P08631	Humans	Predicted (SEA)	1924.82
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	336.62
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	2300.76
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	2604.21
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	2639.63
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	3061.89
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	P42338	Humans	Predicted (SEA)	2412.55
Click to view 3D structure	Phosphatidylinositol 4-kinase beta	Q9UBF8	Humans	Predicted (SEA)	1636.7
Click to view 3D structure	DNA-dependent protein kinase catalytic subunit	P78527	Humans	Predicted (SEA)	1221.38
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42345	Humans	Predicted (SEA)	2475.61
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	5149.65
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	1964.76
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	1579.33
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	2214.81
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	4835.37
Click to view 3D structure	Ephrin type-B receptor 4	P54760	Humans	Predicted (SEA)	2394.95
Click to view 3D structure	Tryptase beta-2	P20231	Humans	Predicted (SEA)	104.396
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	3236.81
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	5314.46
Click to view 3D structure	Coagulation factor XI	P03951	Humans	Predicted (SEA)	1045.28
Click to view 3D structure	Bromodomain-containing protein 4	O60885	Humans	Predicted (SEA)	2466.5