Padeliporfin (CED0013635)

Record Information
Version1.0
Creation Date2026-04-14 20:21:21 UTC
Update Date2026-05-14 19:51:55 UTC
Accession NumberCHEM133202
Identification
Common NamePadeliporfin
ClassSmall Molecule
Description
Padeliporfin is an organoheterocyclic compound with the formula C37H43N5O9PdS. Padeliporfin belongs to the metallotetrapyrroles, a subclass of tetrapyrroles and derivatives within the organic compounds. With an average molecular weight of 840.26 g/mol, Padeliporfin is a heavy molecule. It is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically as an antineoplastic agent. The recorded exposure route for this compound is intravenous.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC37H43N5O9PdS
Average Molecular Mass840.260 g/mol
Monoisotopic Mass839.182 g/mol
CAS Registry Number759457-82-4
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Pd++].[H][C@]1(C)\C2=C\C3=C(C(C)=O)C(C)=C([N-]3)\C=C3/N=C(/C(/CC(=O)OC)=C4\[N-]\C(=C/C(=N2)[C@]1([H])CC)C(C)=C4C(=O)NCCS(O)(=O)=O)[C@@]([H])(CCC(O)=O)[C@]3([H])C
InChI IdentifierInChI=1S/C37H45N5O9S.Pd/c1-8-22-17(2)25-16-30-33(21(6)43)19(4)27(40-30)14-26-18(3)23(9-10-31(44)45)35(41-26)24(13-32(46)51-7)36-34(37(47)38-11-12-52(48,49)50)20(5)28(42-36)15-29(22)39-25;/h14-18,22-23H,8-13H2,1-7H3,(H5,38,39,40,41,42,43,44,45,47,48,49,50);/q;+2/p-2/t17-,18+,22-,23+;/m1./s1
InChI KeyMZRDSGWDVDESRC-VNWQTDIGSA-L
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 ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
358Antineoplastic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Glypican-3 structureClick to view 3D structureGlypican-3P51654HumansPredicted (SEA)93.3412
Myoferlin structureClick to view 3D structureMyoferlinQ9NZM1HumansPredicted (SEA)724.698
Click to view 3D structureProstaglandin F2-alpha receptorP43118Rattus norvegicusPredicted (SEA)409.876
Prostaglandin F2-alpha receptor structureClick to view 3D structureProstaglandin F2-alpha receptorP43088HumansPredicted (SEA)2550.81
Dual specificity protein phosphatase 2 structureClick to view 3D structureDual specificity protein phosphatase 2Q05923HumansPredicted (SEA)708.973
Click to view 3D structureUncharacterized proteinA0A1D5QZY8Macaca mulattaPredicted (SEA)708.973
Glucagon receptor structureClick to view 3D structureGlucagon receptorP47871HumansPredicted (SEA)2067.68
Click to view 3D structureLymphocyte antigen 6KQ17RY6HumansPredicted (SEA)271.46
Click to view 3D structureAcetyl-coenzyme A synthetase, cytoplasmicQ9NR19HumansPredicted (SEA)821.231
Click to view 3D structureProstaglandin D2 receptorQ13258HumansPredicted (SEA)4084.52
Gastric inhibitory polypeptide receptor structureClick to view 3D structureGastric inhibitory polypeptide receptorP48546HumansPredicted (SEA)1694.23
Prostaglandin D2 receptor 2 structureClick to view 3D structureProstaglandin D2 receptor 2Q9Y5Y4HumansPredicted (SEA)3561.68
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)3747.27
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)5911.87
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7674.77
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)6825.43
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)7153.72
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)5980.38
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)5985.52
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)6101.51
Click to view 3D structureUncharacterized proteinA0A8I3N355Canis lupus familiarisPredicted (SEA)878.451
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7657.72
Click to view 3D structureBeta-glucosidaseP12614Agrobacterium sp. ATCC 21400Predicted (SEA)190.808
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)7437.56
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)7516.73
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available