PEXIDARTINIB HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII YS6WAI3XN7
Parent Compound: PEXIDARTINIB

Structure

InChI Key CJLUYLRKLUYCEK-UHFFFAOYSA-N
Smiles Cl.FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
InChI
InChI=1S/C20H15ClF3N5.ClH/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);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16Cl2F3N5
Molecular Weight 454.28
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 FDA PubMed PubMed

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
ChEMBL CHEMBL3989973
FDA SRS YS6WAI3XN7
PubChem 73053710
SureChEMBL SCHEMBL18207396
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