Trofinetide (CED0013404)

Record Information
Version1.0
Creation Date2026-04-14 15:58:45 UTC
Update Date2026-08-19 02:24:21 UTC
Accession NumberCHEM129659
Identification
Common NameTrofinetide
ClassSmall Molecule
Description
Trofinetide is an organic compound with the formula C13H21N3O6 and an average molecular weight of 315.33 g/mol. Trofinetide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is identified as a source within healthcare, pharmaceuticals, and veterinary products, specifically categorized as an unclassified nervous system drug. The recorded route of exposure for this compound is oral.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H21N3O6
Average Molecular Mass315.326 g/mol
Monoisotopic Mass315.143 g/mol
CAS Registry Number853400-76-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESC[C@]1(CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI IdentifierInChI=1S/C13H21N3O6/c1-13(5-2-6-16(13)9(17)7-14)12(22)15-8(11(20)21)3-4-10(18)19/h8H,2-7,14H2,1H3,(H,15,22)(H,18,19)(H,20,21)/t8-,13-/m0/s1
InChI KeyBUSXWGRAOZQTEY-SDBXPKJASA-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
SpectraNot Available
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
2692.0Log mg/kg[1500:4800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
384Unclassified nervous system drugsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCarboxypeptidase G2Q9I056Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)5.13805
Click to view 3D structureDihydroxyacetone phosphate acyltransferaseO15228HumansPredicted (SEA)7.94062
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)64.6149
Click to view 3D structureDihydrofolate reductaseP00375Mus musculusPredicted (SEA)22.9655
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00381Lactobacillus caseiPredicted (SEA)52.5482
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)53.4824
Click to view 3D structureThymidylate synthaseP07607Mus musculusPredicted (SEA)21.0193
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ07422Toxoplasma gondiiPredicted (SEA)60.3331
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP00469Lactobacillus caseiPredicted (SEA)24.6004
Click to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP09610Mesocricetus auratusPredicted (SEA)110.079
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP04818HumansPredicted (SEA)28.9599
Click to view 3D structureTrifunctional purine biosynthetic protein adenosine-3Q64737Mus musculusPredicted (SEA)16.4262
Click to view 3D structureDihydrofolate reductaseQ920D2Rattus norvegicusPredicted (SEA)55.3508
Trifunctional purine biosynthetic protein adenosine-3 structureClick to view 3D structureTrifunctional purine biosynthetic protein adenosine-3P22102HumansPredicted (SEA)19.2288
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP16184Pneumocystis cariniiPredicted (SEA)48.033
Glutamate carboxypeptidase 2 structureClick to view 3D structureGlutamate carboxypeptidase 2Q04609HumansPredicted (SEA)19.1509
Click to view 3D structureGlutathionylspermidine synthaseP90518Crithidia fasciculataPredicted (SEA)45.1525
Click to view 3D structureThymidylate synthaseC3SWJ7Escherichia coliPredicted (SEA)20.3186
Click to view 3D structureRibonucleoside-diphosphate reductase large subunitP08543Herpes simplex virus (type 1 / strain 17)Predicted (SEA)16.3483
Click to view 3D structureSolute carrier organic anion transporter family member 1A3P70502Rattus norvegicusPredicted (SEA)10.6653
Folate receptor alpha structureClick to view 3D structureFolate receptor alphaP15328HumansPredicted (SEA)18.6838
Click to view 3D structureProton-coupled folate transporterQ96NT5HumansPredicted (SEA)18.9952
Reduced folate transporter structureClick to view 3D structureReduced folate transporterP41440HumansPredicted (SEA)18.1389
Click to view 3D structureN-acetylaspartylglutamate synthase AQ8IXN7HumansPredicted (SEA)2.02408
Gamma-glutamyl hydrolase structureClick to view 3D structureGamma-glutamyl hydrolaseQ92820HumansPredicted (SEA)1.01204
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available