Idelalisib (CED0004433)

Record Information
Version1.0
Creation Date2026-04-05 12:43:06 UTC
Update Date2026-08-21 21:08:35 UTC
Accession NumberCHEM101827
Identification
Common NameIdelalisib
ClassSmall Molecule
Description
Idelalisib is an organic compound with the formula C22H18FN7O and an average molecular weight of 415.43 g/mol. Idelalisib belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. It acts as an inhibitor of the phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PIK3CD). The compound is found in or released from two recorded sources: electrical and electronic equipment, specifically electric hearing aids, and healthcare, pharmaceuticals and veterinary products, specifically antineoplastic agents. The recorded exposure route is oral. Health effects associated with idelalisib include pneumonia (PMC7822209) and diarrhea (PMC7822209).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC22H18FN7O
Average Molecular Mass415.432 g/mol
Monoisotopic Mass415.156 g/mol
CAS Registry Number870281-82-6
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@](CC)(NC1=NC=NC2=C1N=CN2)C1=NC2=CC=CC(F)=C2C(=O)N1C1=CC=CC=C1
InChI IdentifierInChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
InChI KeyIFSDAJWBUCMOAH-HNNXBMFYSA-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 Spectrumsplash10-014i-0011900000-a78b5b899af9985fbddbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-1922300000-a9f535632b8a37da002eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0019-5950000000-1487f05de3aec9ef5a38Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0001900000-fd877445405517f25d73Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0407900000-be612f1ee8718aa7fcbbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001l-5914000000-96ca0f2d40baa62fd802Not 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
1344.0Log mg/kg[760:2400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
diarrheaassociated_withNot AvailablePMC7822209
pneumoniaassociated_withNot AvailablePMC7822209
colitisassociated_withNot AvailablePMC7822209
chronic lymphocytic leukemiais_treatment_forNot AvailablePMC6331900
mantle cell lymphomahas_therapeutic_effect_onNot AvailablePMC4725701
Exposure Sources
Source IDSourceSectorReference
358Antineoplastic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
Pathways
1 pathway
Idelalisib Drug Metabolism Action Pathway
Idelalisib Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform structureClick to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoformO00329HumansPredicted (SEA)0.467095
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform structureClick to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoformP48736HumansPredicted (SEA)0.311397
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform structureClick to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoformP42336HumansPredicted (SEA)0.622794
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)1.01204
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)0.544945
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)0.233548
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)0.700643
Histone deacetylase 5 structureClick to view 3D structureHistone deacetylase 5Q9UQL6HumansPredicted (SEA)0.311397
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)0.700643
Click to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoformP42338HumansPredicted (SEA)3.89246
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)6.69503
Click to view 3D structurePolyamine deacetylase HDAC10Q969S8HumansPredicted (SEA)2.72472
Histone deacetylase 7 structureClick to view 3D structureHistone deacetylase 7Q8WUI4HumansPredicted (SEA)5.0602
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)7.86277
Click to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoformQ9JHG7Mus musculusPredicted (SEA)2.17978
Histone deacetylase 9 structureClick to view 3D structureHistone deacetylase 9Q9UKV0HumansPredicted (SEA)21.4085
Phosphatidylinositol 4-kinase alpha structureClick to view 3D structurePhosphatidylinositol 4-kinase alphaP42356HumansPredicted (SEA)3.73676
Serine/threonine-protein kinase mTOR structureClick to view 3D structureSerine/threonine-protein kinase mTORP42345HumansPredicted (SEA)110.157
DNA-dependent protein kinase catalytic subunit structureClick to view 3D structureDNA-dependent protein kinase catalytic subunitP78527HumansPredicted (SEA)38.6911
Click to view 3D structurePhosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit betaO00750HumansPredicted (SEA)38.6911
Phosphatidylinositol 4-kinase beta structureClick to view 3D structurePhosphatidylinositol 4-kinase betaQ9UBF8HumansPredicted (SEA)51.9254
Phosphatidylinositol 3-kinase catalytic subunit type 3 structureClick to view 3D structurePhosphatidylinositol 3-kinase catalytic subunit type 3Q8NEB9HumansPredicted (SEA)22.4206
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha structureClick to view 3D structurePhosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alphaO00443HumansPredicted (SEA)7.16213
Click to view 3D structureHistidine kinase 3Q9C5U1Arabidopsis thalianaPredicted (SEA)2.56902
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)1536.43
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available