Melphalan flufenamide (CED0015090)

Record Information
Version1.0
Creation Date2026-04-14 20:58:18 UTC
Update Date2026-08-22 03:47:34 UTC
Accession NumberCHEM134032
Identification
Common NameMelphalan flufenamide
ClassSmall Molecule
Description
Melphalan flufenamide is an organic compound with the formula C24H30Cl2FN3O3 and an average molecular weight of 498.42 g/mol. Melphalan flufenamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is identified as an antineoplastic agent used in healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure for this compound is intravenous.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC24H30Cl2FN3O3
Average Molecular Mass498.420 g/mol
Monoisotopic Mass497.165 g/mol
CAS Registry Number380449-51-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOC(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)[C@@H](N)CC1=CC=C(C=C1)N(CCCl)CCCl
InChI IdentifierInChI=1S/C24H30Cl2FN3O3/c1-2-33-24(32)22(16-18-3-7-19(27)8-4-18)29-23(31)21(28)15-17-5-9-20(10-6-17)30(13-11-25)14-12-26/h3-10,21-22H,2,11-16,28H2,1H3,(H,29,31)/t21-,22-/m0/s1
InChI KeyYQZNKYXGZSVEHI-VXKWHMMOSA-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 LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0010900000-8800d8e5ca72166da378Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4r-0490800000-d0e07fad72350bbb3eceNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05p7-0790000000-9f1d5578b64b82b3c437Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000t-5000900000-5d709a62df4013376535Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9101400000-7903347d325f0f05c771Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9502000000-b4521820f9c77866ee6cNot 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
1262.0Log mg/kg[710:2200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
358Antineoplastic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Melphalan flufenamide Drug Metabolism Action Pathway
Melphalan flufenamide Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePeptidyl-glycine alpha-amidating monooxygenaseP19021HumansPredicted (SEA)15.0249
Solute carrier family 15 member 1 structureClick to view 3D structureSolute carrier family 15 member 1P46059HumansPredicted (SEA)15.5698
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)322.607
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)268.424
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)246.315
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)256.046
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)241.878
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)398.744
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)375.856
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)263.675
Click to view 3D structureMu-opioid receptorQ8CGM4Cavia porcellusPredicted (SEA)75.1245
Proenkephalin-B structureClick to view 3D structureProenkephalin-BP01213HumansPredicted (SEA)88.3589
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)216.888
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)268.113
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)200.15
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)226.074
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)210.971
Click to view 3D structureProteasome component C5P23724Saccharomyces cerevisiae S288cPredicted (SEA)59.399
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)224.05
Calpain-1 catalytic subunit structureClick to view 3D structureCalpain-1 catalytic subunitP07384HumansPredicted (SEA)104.24
Click to view 3D structureSubstance-P receptorP14600Rattus norvegicusPredicted (SEA)179.754
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)184.036
Solute carrier family 15 member 2 structureClick to view 3D structureSolute carrier family 15 member 2Q16348HumansPredicted (SEA)23.9776
Click to view 3D structureCoagulation factor XP00743Bos taurusPredicted (SEA)42.5835
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)176.484
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available