pexidartinib   Click here for help

GtoPdb Ligand ID: 8710

Synonyms: PLX-3397 | PLX3397 | Turalio®
Approved drug PDB Ligand
pexidartinib is an approved drug (FDA (2019))
Compound class: Synthetic organic
Comment: Pexidartinib is an orally available, multi-targeted inhibitor of the receptor tyrosine kinases, Fms-related tyrosine kinase 3 (FLT3), stem cell growth factor receptor (KIT) and colony stimulating factor 1 receptor (CSF1R), with potential antineoplastic activity [5]. Pexidartinib is compound P-0181 in patent US7893075 B2 [6].
It is active against wild type FLT3 and the FLT3 gatekeeper F691L resistance mutant, but its activity is vulnerable to mutations in the FLT3 activation loop [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 66.49
Molecular weight 417.1
XLogP 4.58
No. Lipinski's rules broken 0
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Canonical SMILES Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F
Isomeric SMILES Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2019))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10056 pexidartinib
Synonyms Click here for help
PLX-3397 | PLX3397 | Turalio®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9677649
Reactome Reaction Reactome logo R-HSA-9702510, R-HSA-9695831, R-HSA-9702607
Other databases
CAS Registry No. 1029044-16-3 (source: PubChem)
DrugCentral Ligand 5343
GtoPdb PubChem SID 252827368
PubChem CID 25151352
RCSB PDB Ligand P31
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UniChem Compound Search for chemical match using the InChIKey JGWRKYUXBBNENE-UHFFFAOYSA-N
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