Pexidartinib (CED0006654)

Record Information

Version

1.0

Creation Date

2026-04-14 19:13:43 UTC

Update Date

2026-08-20 04:43:04 UTC

SynCED ID

CED0006654

Secondary Accession Numbers

CHEM131785

Identification

Common Name

Pexidartinib

Class

Small Molecule

Description

Pexidartinib is an organic compound with the formula C20H15ClF3N5 and an average molecular weight of 417.82 g/mol. Pexidartinib belongs to the pyrrolopyridines, a class of organoheterocyclic compounds within the organic compounds. This compound is utilized within healthcare, pharmaceuticals, and veterinary products as an antineoplastic agent and is administered via the oral exposure route. It acts as an inhibitor for four recorded protein targets: the Macrophage colony-stimulating factor 1 receptor (CSF1R), the Mast/stem cell growth factor receptor Kit (KIT), the Receptor-type tyrosine-protein kinase FLT3, and the Platelet-derived growth factor receptor beta (PDGFRB).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₁₅ClF₃N₅

Average Molecular Mass

417.820 g/mol

Monoisotopic Mass

417.097 g/mol

CAS Registry Number

1029044-16-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1

InChI Identifier

InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)

InChI Key

JGWRKYUXBBNENE-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

EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (PMC12575145 , PMC12681936 )?

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	splash10-0i0u-0339200000-ead78bedccbca204d565	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	splash10-014i-0111900000-ebc59003a72159d98d30	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0965700000-b03096ad3bcbe82a1783	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-1970000000-48ca9e7852e4ce088323	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0101900000-634ee789fbfbfbca7826	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014j-0926800000-ae8bd8765105f7300c1d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-1930000000-6798bfaa3bedb8517e0d	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1059.0 Log mg/kg [600:1900]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
tenosynovial giant cell tumor	Not Available	Not Available	Not Available	PMC13059191

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000358	Antineoplastic agents?Antineoplastic agents are a class of synthetic chemicals used primarily in the treatment of cancer.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem

Pathways

2 pathwaysPathway Source: PathBank

Pexidartinib Drug Metabolism Action Pathway

Pexidartinib Predicted Metabolism Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	Prediction Confidence Score 0.543 Applicability Domain 1.0 Statistical Significance 0.0021 Supporting Reference Compounds 833 E-value 16.6597
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.526 Applicability Domain 1.0 Statistical Significance 0.0047 Supporting Reference Compounds 905 E-value 36.9005
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.515 Applicability Domain 1.0 Statistical Significance 0.0082 Supporting Reference Compounds 1274 E-value 64.0699
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.457 Applicability Domain 1.0 Statistical Significance 0.0191 Supporting Reference Compounds 1660 E-value 148.926
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.444 Applicability Domain 1.0 Statistical Significance 0.0114 Supporting Reference Compounds 1017 E-value 88.5146
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.442 Applicability Domain 1.0 Statistical Significance 0.0106 Supporting Reference Compounds 934 E-value 82.7537
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.442 Applicability Domain 1.0 Statistical Significance 0.0203 Supporting Reference Compounds 1301 E-value 158.19
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.436 Applicability Domain 1.0 Statistical Significance 0.0169 Supporting Reference Compounds 1130 E-value 131.565
Click to view 3D structure	NT-3 growth factor receptor	Q16288	Humans	Predicted (SEA)	Prediction Confidence Score 0.434 Applicability Domain 1.0 Statistical Significance 0.0059 Supporting Reference Compounds 529 E-value 45.7753
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	Prediction Confidence Score 0.425 Applicability Domain 1.0 Statistical Significance 0.009 Supporting Reference Compounds 519 E-value 69.9865
Click to view 3D structure	Platelet-derived growth factor receptor beta	P09619	Humans	Predicted (SEA)	Prediction Confidence Score 0.423 Applicability Domain 1.0 Statistical Significance 0.012 Supporting Reference Compounds 597 E-value 93.1855
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	Prediction Confidence Score 0.421 Applicability Domain 1.0 Statistical Significance 0.0129 Supporting Reference Compounds 711 E-value 100.348
Click to view 3D structure	Protein kinase C theta type	Q04759	Humans	Predicted (SEA)	Prediction Confidence Score 0.41 Applicability Domain 1.0 Statistical Significance 0.0053 Supporting Reference Compounds 356 E-value 41.2601
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.358 Applicability Domain 0.493 Statistical Significance 0.0462 Supporting Reference Compounds 1538 E-value 359.741
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P09581	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.358 Applicability Domain 1.0 Statistical Significance 8.30e-04 Supporting Reference Compounds 44 E-value 6.46149
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.355 Applicability Domain 0.493 Statistical Significance 0.0389 Supporting Reference Compounds 1245 E-value 303.223
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.352 Applicability Domain 0.493 Statistical Significance 0.0323 Supporting Reference Compounds 1130 E-value 251.375
Click to view 3D structure	SRC kinase signaling inhibitor 1	Q9C0H9	Humans	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.346 Statistical Significance 6.00e-05 Supporting Reference Compounds 1 E-value 0.467095
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.493 Statistical Significance 0.0229 Supporting Reference Compounds 825 E-value 178.275
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.493 Statistical Significance 0.0254 Supporting Reference Compounds 793 E-value 197.659
Click to view 3D structure	Uncharacterized protein FLJ45252	Q6ZSR9	Humans	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 1.0 Statistical Significance 0.0017 Supporting Reference Compounds 52 E-value 13.0787
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.346 Statistical Significance 0.1033 Supporting Reference Compounds 906 E-value 804.027
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.346 Statistical Significance 0.1235 Supporting Reference Compounds 961 E-value 961.594
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.346 Statistical Significance 0.1347 Supporting Reference Compounds 1157 E-value 1048.47
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.346 Statistical Significance 0.0923 Supporting Reference Compounds 735 E-value 718.548