PEXIDARTINIB

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Synonyms
Status
Molecule Category Free-form
ATC L01EX15
UNII 6783M2LV5X

Structure

InChI Key JGWRKYUXBBNENE-UHFFFAOYSA-N
Smiles FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H15ClF3N5
Molecular Weight 417.82
AlogP 5.23
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 66.49
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Macrophage colony stimulating factor receptor inhibitor INHIBITOR PubMed PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 643 - - 63
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 5-130 - - 1-97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 5-643 - - 1-97
Mus musculus
200-294 14-430 - - -

Target Conservation

Protein: Macrophage colony stimulating factor receptor
Description: Macrophage colony-stimulating factor 1 receptor
Organism : Homo sapiens
P07333 ENSG00000182578
Protein: Stem cell growth factor receptor
Description: Mast/stem cell growth factor receptor Kit
Organism : Homo sapiens
P10721 ENSG00000157404
Protein: Tyrosine-protein kinase receptor FLT3
Description: Receptor-type tyrosine-protein kinase FLT3
Organism : Homo sapiens
P36888 ENSG00000122025

Cross References

Resources Reference
ChEBI 145373
ChEMBL CHEMBL3813873
DrugBank DB12978
DrugCentral 5343
FDA SRS 6783M2LV5X
Guide to Pharmacology 8710
PDB P31
PubChem 25151352
SureChEMBL SCHEMBL1267310
ZINC ZINC000115705166
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