Sebetralstat (CED0021763)

Record Information
Version1.0
Creation Date2026-04-14 22:06:05 UTC
Update Date2026-08-22 06:17:22 UTC
Accession NumberCHEM135567
Identification
Common NameSebetralstat
ClassSmall Molecule
Description
Sebetralstat is an organic compound with the formula C26H26FN5O4 and an average molecular weight of 491.52 g/mol. Sebetralstat belongs to the halopyridines, a subclass of pyridines and derivatives within the organic compounds. It is categorized as an organoheterocyclic compound. This substance is found in healthcare, pharmaceuticals, and veterinary products as a hematological agent and is administered via oral exposure. In terms of its biological activity, sebetralstat acts as an inhibitor of the protein target plasma kallikrein (KLKB1).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC26H26FN5O4
Average Molecular Mass491.523 g/mol
Monoisotopic Mass491.197 g/mol
CAS Registry Number1933514-13-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOCC1=NN(CC2=CC=C(CN3C=CC=CC3=O)C=C2)C=C1C(=O)NCC1=NC=CC(OC)=C1F
InChI IdentifierInChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)
InChI KeyKGMPDQIYDKKXRD-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
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
3844.0Log mg/kg[2200:6800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
283Hematological agentsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)4.35956
Coagulation factor XI structureClick to view 3D structureCoagulation factor XIP03951HumansPredicted (SEA)22.1092
Beta-secretase 1 structureClick to view 3D structureBeta-secretase 1P56817HumansPredicted (SEA)49.4343
Renin structureClick to view 3D structureReninP00797HumansPredicted (SEA)30.2055
Cathepsin D structureClick to view 3D structureCathepsin DP07339HumansPredicted (SEA)29.1156
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)24.9118
Tissue-type plasminogen activator structureClick to view 3D structureTissue-type plasminogen activatorP00750HumansPredicted (SEA)27.6365
Kallikrein-1 structureClick to view 3D structureKallikrein-1P06870HumansPredicted (SEA)21.0193
Coagulation factor XII structureClick to view 3D structureCoagulation factor XIIP00748HumansPredicted (SEA)90.7722
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)371.652
Click to view 3D structurePotassium channel subfamily K member 17Q96T54HumansPredicted (SEA)26.5466
Protein Nef structureClick to view 3D structureProtein NefP03406Human immunodeficiency virus 1Predicted (SEA)7.62922
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)1584.7
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)2157.28
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)1105.38
Tyrosine-protein kinase receptor UFO structureClick to view 3D structureTyrosine-protein kinase receptor UFOP30530HumansPredicted (SEA)1039.13
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)1298.37
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)1362.75
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)1326.24
Platelet-derived growth factor receptor alpha structureClick to view 3D structurePlatelet-derived growth factor receptor alphaP16234HumansPredicted (SEA)1371.47
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)1662.78
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)1091.68
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)2051.02
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)2513.52
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)2537.42
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available