pexidartinib

Ligand id: 8710

Name: pexidartinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 66.49
Molecular weight 417.1
XLogP 4.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine
International Nonproprietary Names
INN number INN
10056 pexidartinib
Synonyms
PLX-3397 | PLX3397
Database Links
CAS Registry No. 1029044-16-3 (source: PubChem)
PubChem CID 25151352
RCSB PDB Ligand P31
Search Google for chemical match using the InChIKey JGWRKYUXBBNENE-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey JGWRKYUXBBNENE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JGWRKYUXBBNENE
Comments
Pexidartinib is an orally available, investigational 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 [4]. Pexidartinib is compound P-0181 in patent US7893075 B2 [5].