Exarafenib

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

Identification

Generic Name
Exarafenib
DrugBank Accession Number
DB17582
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 521.585
Monoisotopic: 521.261374464
Chemical Formula
C26H34F3N5O3
Synonyms
  • KIN-2787 free base

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Exarafenib hydrochloride5RHX544GEHNot AvailableDTAKPQLNXDAFGP-VOMIJIAVSA-N

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2VPX8HL8AB
CAS number
2639957-39-2
InChI Key
GZMYLSJUNSCMTD-MOPGFXCFSA-N
InChI
InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1
IUPAC Name
(3S)-N-[3-(2-{[(2R)-1-hydroxypropan-2-yl]amino}-6-(morpholin-4-yl)pyridin-4-yl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILES
C[C@H](CO)NC1=CC(=CC(=N1)N1CCOCC1)C1=CC(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)=CC=C1C

References

General References
Not Available
ChemSpider
115277132
PDBe Ligand
WJ9
PDB Entries
8qqg

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentAdult Solid Tumor / Melanoma / Non-Small Cell Lung Cancer (NSCLC)1

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
logP3.95Chemaxon
pKa (Strongest Acidic)13.64Chemaxon
pKa (Strongest Basic)7.97Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area89.96 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity139.84 m3·mol-1Chemaxon
Polarizability54.53 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 04, 2023 00:00 / Updated at February 23, 2024 01:13