Avapritinib (CED0008247)

Record Information

Version

1.0

Creation Date

2026-04-14 20:11:04 UTC

Update Date

2026-08-22 06:22:51 UTC

Accession Number

CHEM132920

Identification

Common Name

Avapritinib

Class

Small Molecule

Description

Avapritinib is an organic compound with the formula C26H27FN10 and an average molecular weight of 498.57 g/mol. Avapritinib belongs to the piperazines, a subclass of diazinanes within the organic compounds. This compound is classified as an antineoplastic agent and is found in healthcare, pharmaceuticals, and veterinary products. Its recorded route of exposure is oral. Avapritinib acts as an inhibitor for two protein targets: the Platelet-derived growth factor receptor alpha (PDGFRA) and the Mast/stem cell growth factor receptor Kit (KIT).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₂₇FN₁₀

Average Molecular Mass

498.570 g/mol

Monoisotopic Mass

498.240 g/mol

CAS Registry Number

1703793-34-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CN1C=C(C=N1)C1=CN2N=CN=C(N3CCN(CC3)C3=NC=C(C=N3)[C@@](C)(N)C3=CC=C(F)C=C3)C2=C1

InChI Identifier

InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1

InChI Key

DWYRIWUZIJHQKQ-SANMLTNESA-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	splash10-0002-0000900000-7eec1695bf7c80f359d7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001j-0000900000-50f9deeaae534800eba1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0aba-0230900000-b786b63816a901d66a7c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0000900000-37c4d6c82907d4ca5f3a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01vk-0002900000-ed180145bd5ef942e7b5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0901-0543900000-61acf3c906b629ae25c1	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
262.0	Log mg/kg	[150:470]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
358	Antineoplastic agents	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

2 pathways

Avapritinib Drug Metabolism

Avapritinib Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	150.638
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	117.552
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	87.1133
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	771.097
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	1419.42
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	1180.74
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	2068.84
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	936.76
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	793.906
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	1267.31
Click to view 3D structure	Ribosomal protein S6 kinase beta-1	P23443	Humans	Predicted (SEA)	1742.58
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	1758.54
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	2859.17
Click to view 3D structure	Fibroblast growth factor receptor substrate 2	Q8WU20	Humans	Predicted (SEA)	18.061
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	2625.23
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	675.264
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	2763.88
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	2701.76
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	2900.43
Click to view 3D structure	Mitogen-activated protein kinase 9	P45984	Humans	Predicted (SEA)	2785.52
Click to view 3D structure	Interleukin-1 receptor-associated kinase 4	Q9NWZ3	Humans	Predicted (SEA)	2536.72
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	3705.62
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	3399.83
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	3172.67
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	4633.66