EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145373 - pexidartinib

ChEBI IDCHEBI:145373
ChEBI Namepexidartinib
Stars
DefinitionA pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT).
Last Modified14 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC20H15ClF3N5
Net Charge0
Average Mass417.822
Monoisotopic Mass417.09681
SMILESFC(F)(F)c1ccc(CNc2ccc(Cc3cnc4ncc(Cl)cc34)cn2)cn1
InChIInChI=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)
InChIKeyJGWRKYUXBBNENE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
pexidartinib (CHEBI:145373) has role antineoplastic agent (CHEBI:35610)
pexidartinib (CHEBI:145373) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
pexidartinib (CHEBI:145373) is a aminopyridine (CHEBI:38207)
pexidartinib (CHEBI:145373) is a organochlorine compound (CHEBI:36683)
pexidartinib (CHEBI:145373) is a organofluorine compound (CHEBI:37143)
pexidartinib (CHEBI:145373) is a pyrrolopyridine (CHEBI:46771)
pexidartinib (CHEBI:145373) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
INNs  Source
pexidartinibWHO MedNet
pexidartinibWHO MedNet
pexidartinibumWHO MedNet
pexidartinibWHO MedNet
Synonyms  Source
PLX3397DrugBank
PLX-3397DrugBank
CML-261DrugBank
Brand Name  Source
TuralioChEBI
Manual XrefsDatabases
DB12978DrugBank
D11270KEGG DRUG
PexidartinibWikipedia
P31PDBeChem
Registry NumbersSources
CAS:1029044-16-3ChemIDplus
Citations