Pexidartinib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Pexidartinib
Accession Number
DB12978
Type
Small Molecule
Groups
Investigational
Description

Pexidartinib has been used in trials studying the treatment of Solid Tumors.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
6783M2LV5X
CAS number
1029044-16-3
Weight
Average: 417.82
Monoisotopic: 417.0968077
Chemical Formula
C20H15ClF3N5
InChI Key
JGWRKYUXBBNENE-UHFFFAOYSA-N
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)
IUPAC Name
5-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}methyl)-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
SMILES
FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
25151352
PubChem Substance
347829117
ChemSpider
35308322
BindingDB
50177716
ChEMBL
CHEMBL3813873
HET
P31
Wikipedia
Pexidartinib
PDB Entries
4r7h

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentCancer, Advanced / Colorectal Cancers / Malignant Neoplasm of Pancreas / Metastatic Cancers1
1Active Not RecruitingTreatmentDrug Interaction Potential1
1Active Not RecruitingTreatmentGastrointestinal Stromal Tumors (GISTs)1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedBasic SciencePharmacokinetics in Healthy Volunteers1
1CompletedTreatmentTumors, Solid1
3Active Not RecruitingTreatmentGiant Cell Tumors of the Tendon Sheath / Synovitis, Pigmented Villonodular / Tenosynovial Giant Cell Tumor / Tenosynovial Giant Cell Tumour1
Not AvailableActive Not RecruitingTreatmentAdvanced Solid Tumors1
Not AvailableActive Not RecruitingTreatmentMelanoma / Metastatic Melanoma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00315 mg/mLALOGPS
logP4.64ALOGPS
logP4.54ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)15.68ChemAxon
pKa (Strongest Basic)6.76ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.49 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity105.89 m3·mol-1ChemAxon
Polarizability39.33 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolopyridines
Sub Class
Not Available
Direct Parent
Pyrrolopyridines
Alternative Parents
Aminopyridines and derivatives / Substituted pyrroles / Imidolactams / Aryl chlorides / Heteroaromatic compounds / Azacyclic compounds / Organofluorides / Organochlorides / Hydrocarbon derivatives / Amines
show 1 more
Substituents
Pyrrolopyridine / Aminopyridine / Aryl chloride / Aryl halide / Pyridine / Substituted pyrrole / Imidolactam / Pyrrole / Heteroaromatic compound / Azacycle
show 10 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:45 / Updated on June 04, 2019 07:46