Nirogacestat (CED0011552)

Record Information
Version1.0
Creation Date2026-04-14 18:33:34 UTC
Update Date2026-08-22 07:46:33 UTC
Accession NumberCHEM131433
Identification
Common NameNirogacestat
ClassSmall Molecule
Description
Nirogacestat is an organic compound with the chemical formula $\text{C}_{27}\text{H}_{41}\text{F}_2\text{N}_5\text{O}$ and an average molecular weight of 489.66 g/mol. Nirogacestat belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is identified as an antineoplastic agent within the category of healthcare, pharmaceuticals, and veterinary products. It is administered via the oral exposure route. In terms of its biological activity, Nirogacestat acts as an inhibitor or modulator of six recorded protein targets. These targets include Presenilin-1 (PSEN1), Presenilin-2 (PSEN2), Gamma-secretase subunit APH-1A (APH1A), and Gamma-secretase subunit PEN-2 (PSENEN), as well as two additional proteins.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC27H41F2N5O
Average Molecular Mass489.656 g/mol
Monoisotopic Mass489.328 g/mol
CAS Registry Number1290543-63-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C
InChI IdentifierInChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1
InChI KeyVFCRKLWBYMDAED-REWPJTCUSA-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 Spectrumsplash10-0fk9-0190600000-37a1dfe0eaacc9f91837Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00du-2891100000-e86b853d03df577a3ab6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05oc-7940000000-de3a420bf973a08a00feNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0040900000-4408ee233bc3354d15c6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-4492800000-8e9b5cdc1a53cc30dae1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dr-9770100000-eace63e01755d2a6cb50Not AvailableView Spectrum
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
Click to view 3D structureGamma-secretase-activating proteinA4D1B5HumansPredicted (SEA)0.0778492
Click to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 5Q9R001Mus musculusPredicted (SEA)11.9888
Cyclin-dependent kinase inhibitor 2A structureClick to view 3D structureCyclin-dependent kinase inhibitor 2AP42771HumansPredicted (SEA)65.9383
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)4556.59
Click to view 3D structureTyrosine-protein kinase receptor UFOQ00993Mus musculusPredicted (SEA)107.821
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)5050.39
Tyrosine-protein kinase receptor UFO structureClick to view 3D structureTyrosine-protein kinase receptor UFOP30530HumansPredicted (SEA)4383.46
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)4950.67
MAP kinase-activated protein kinase 2 structureClick to view 3D structureMAP kinase-activated protein kinase 2P49137HumansPredicted (SEA)5128.08
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)3398.82
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)2262.14
A disintegrin and metalloproteinase with thrombospondin motifs 5 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 5Q9UNA0HumansPredicted (SEA)1055.79
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)6258.07
Tyrosine-protein kinase Mer structureClick to view 3D structureTyrosine-protein kinase MerQ12866HumansPredicted (SEA)3088.67
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)5490.78
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)5737.57
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)6986.27
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)6251.21
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)6168.69
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)5505.73
Platelet-derived growth factor receptor alpha structureClick to view 3D structurePlatelet-derived growth factor receptor alphaP16234HumansPredicted (SEA)4889.32
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)5359.92
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)4715.87
Promotilin structureClick to view 3D structurePromotilinP12872HumansPredicted (SEA)148.303
5-hydroxytryptamine receptor 1F structureClick to view 3D structure5-hydroxytryptamine receptor 1FP30939HumansPredicted (SEA)949.138
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available