PEXIDARTINIB

Search structure
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01EX15
UNII: 6783M2LV5X

Structure
InChI Key JGWRKYUXBBNENE-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Macrophage colony stimulating factor receptor inhibitor PubMed PubMed FDA
Primary Target
colony stimulating factor 1 receptor
KIT proto-oncogene, receptor tyrosine kinase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 11-20 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Synovitis, Pigmented Villonodular 3 D013586 ClinicalTrials
Giant Cell Tumors 3 D005870 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Hemangiosarcoma 2 D006394 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Neurilemmoma 1 D009442 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Arthritis, Rheumatoid 1 D001172 ClinicalTrials
Gastrointestinal Stromal Tumors 1 D046152 ClinicalTrials
Liver Diseases 0 D008107 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 1029044-16-3
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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