Tafamidis (CED0005539)

Record Information
Version1.0
Creation Date2026-04-05 13:39:27 UTC
Update Date2026-08-19 08:14:25 UTC
Accession NumberCHEM102999
Identification
Common NameTafamidis
ClassSmall Molecule
Description
Tafamidis is an organic compound with the formula C14H7Cl2NO3 and an average molecular weight of 308.11 g/mol. Tafamidis belongs to the oxazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound. This substance is recorded as a pharmaceutical product used as an unclassified nervous system drug, with oral exposure as the recorded route. Regarding its biological activity, it targets the chaperone of Transthyretin (TTR).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H7Cl2NO3
Average Molecular Mass308.110 g/mol
Monoisotopic Mass306.980 g/mol
CAS Registry Number594839-88-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC(=O)C1=CC2=C(C=C1)N=C(O2)C1=CC(Cl)=CC(Cl)=C1
InChI IdentifierInChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
InChI KeyTXEIIPDJKFWEEC-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-052r-2093000000-6c9eda1b616978583c87Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0009000000-9bea728c413bdb9daee6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0029000000-b3ca4475b9dd9b1a6edaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-4193000000-1e48f0ff8a348c8f07abNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0039000000-ae2507840cb55bce1387Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08fr-0095000000-8b9dd17bac76b66e22b4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dr-0190000000-e94e174d249641c4645eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4r-0059000000-c0d8ab35b64658841939Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0039000000-29608bd9590174e0dc4cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-bc5904847fec2c65ec50Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bt9-0069000000-87dedd5cb0a6ca0fa264Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0092000000-f3903dc96102fd561848Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08fr-0098000000-5094b7495b0c94fcffa7Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1063.0Log mg/kg[600:1900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
384Unclassified nervous system drugsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Tafamidis Drug Metabolism Action Pathway
Tafamidis Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureDickkopf-related protein 1O54908Mus musculusPredicted (SEA)0.389246
Inosine-5'-monophosphate dehydrogenase 2 structureClick to view 3D structureInosine-5'-monophosphate dehydrogenase 2P12268HumansPredicted (SEA)14.7135
Click to view 3D structureProline--tRNA ligase, cytoplasmicP78600Candida albicansPredicted (SEA)3.42537
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)339.968
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)303.301
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)367.526
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)154.764
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)204.199
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)137.637
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)129.541
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)493.175
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)810.8
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)97.9343
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)232.224
Holo-[acyl-carrier-protein] synthase structureClick to view 3D structureHolo-[acyl-carrier-protein] synthaseP96618Bacillus subtilis (strain 168)Predicted (SEA)1.86838
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)177.963
Inosine-5'-monophosphate dehydrogenase structureClick to view 3D structureInosine-5'-monophosphate dehydrogenaseQ8T6T2Cryptosporidium parvumPredicted (SEA)9.49761
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)205.055
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)464.76
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)184.425
Orexin/Hypocretin receptor type 1 structureClick to view 3D structureOrexin/Hypocretin receptor type 1O43613HumansPredicted (SEA)80.8075
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)97.9343
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)239.153
Lysine-specific demethylase 4A structureClick to view 3D structureLysine-specific demethylase 4AO75164HumansPredicted (SEA)34.3315
Retinoic acid receptor gamma structureClick to view 3D structureRetinoic acid receptor gammaP13631HumansPredicted (SEA)41.4936
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available