NAV

Agerafenib

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

Identification

Generic Name
Agerafenib
DrugBank Accession Number
DB15068
Background

Agerafenib is under investigation in clinical trial NCT03052569 (Expanded Access to RXDX-105 for Cancers With RET Alterations).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 517.465
Monoisotopic: 517.157303317
Chemical Formula
C24H22F3N5O5
Synonyms
  • Agerafenib
External IDs
  • RXDX-105
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Pharmacology

Indication

Not Available

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
78I4VEX88N
CAS number
1188910-76-0
InChI Key
DKNUPRMJNUQNHR-UHFFFAOYSA-N
InChI
InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
IUPAC Name
1-{3-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
SMILES
COC1=C(OC)C=C2C(OC3=CC=CC(NC(=O)NC4=NOC(=C4)C(C)(C)C(F)(F)F)=C3)=NC=NC2=C1

References

General References
Not Available
ChemSpider
28506650
BindingDB
50382959
ChEMBL
CHEMBL2029988
ZINC
ZINC000043207440

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBRAF Gene Mutation / Non-Small Cell Lung Cancer (NSCLC) / Ovarian Cancer / RET gene mutation1
1CompletedTreatmentSolid Tumors1
Not AvailableNo Longer AvailableNot AvailableCancers With RET Alterations1

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 Solubility0.0393 mg/mLALOGPS
logP4.16ALOGPS
logP5.14Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)8.26Chemaxon
pKa (Strongest Basic)2.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area120.63 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity129.51 m3·mol-1Chemaxon
Polarizability47.55 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-014i-0002090000-605c2c3df1b76e073193
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0480090000-1857df55cb839d022261
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01dj-0884190000-63b9fd98107c5e826574
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kb-0271190000-5ca2ca249413a7bbc576
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-008j-0197120000-8e72336ff8e1bac71354
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-007o-3691000000-dbb0c8b81878d6c81ce5
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:46 / Updated at February 21, 2021 18:55