CHEBI:145373 - pexidartinib

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ChEBI Name pexidartinib
ChEBI ID CHEBI:145373
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H15ClF3N5
Net Charge 0
Average Mass 417.820
Monoisotopic Mass 417.09681
InChI 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)
InChIKey JGWRKYUXBBNENE-UHFFFAOYSA-N
SMILES C1=C(C=C2C(=N1)NC=C2CC3=CN=C(C=C3)NCC4=CC=C(N=C4)C(F)(F)F)Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
pexidartinib WHO MedNet
pexidartinib WHO MedNet
pexidartinib WHO MedNet
pexidartinibum WHO MedNet
Synonyms Sources
CML-261 DrugBank
PLX-3397 DrugBank
PLX3397 DrugBank
Brand Name Source
Turalio ChEBI
Manual Xrefs Databases
D11270 KEGG DRUG
DB12978 DrugBank
P31 PDBeChem
Pexidartinib Wikipedia
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Registry Number Type Source
1029044-16-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
14 November 2019