Olaparib (CED0001954)

Record Information
Version1.0
Creation Date2026-04-05 13:34:17 UTC
Update Date2026-08-22 03:07:50 UTC
Accession NumberCHEM102909
Identification
Common NameOlaparib
ClassSmall Molecule
Description
Olaparib is an organic compound with the formula C24H23FN4O3 and an average molecular weight of 434.47 g/mol. Olaparib belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. It is used as a biological drug (PMC7968072) and is found in healthcare, pharmaceuticals, and veterinary products as an antineoplastic agent, with oral recorded exposure routes. The compound acts as an inhibitor of several protein targets, including Poly [ADP-ribose] polymerase 1 (PARP1), Poly [ADP-ribose] polymerase 2 (PARP2), Protein mono-ADP-ribosyltransferase PARP3, and Aldo-keto reductase family 1 member C3 (AKR1C3). Olaparib is used as a treatment for cancer (PMC8839250), specifically breast cancer (PMC13319688), prostate cancer (PMC5436301), and ovarian cancer (PMC12735847, PMC12964609, PMC5436301, PMC6781350, PMC8015234). It has demonstrated therapeutic effects on breast cancer (PMC6921965), ovarian cancer (PMC5436301, PMC6921965), and pancreatic cancer (PMC8015234). The administration of the compound is associated with health effects such as anemia (PMC13319688), neutropenia (PMC13319688), thrombocytopenia (PMC13319688), and acute myeloid leukemia (PMC5436301).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC24H23FN4O3
Average Molecular Mass434.471 g/mol
Monoisotopic Mass434.175 g/mol
CAS Registry Number763113-22-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC1=NN=C(CC2=CC(C(=O)N3CCN(CC3)C(=O)C3CC3)=C(F)C=C2)C2=CC=CC=C12
InChI IdentifierInChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
InChI KeyFDLYAMZZIXQODN-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 Roles
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 GC-MSPredicted GC-MS Spectrumsplash10-0006-9134000000-f1a18d56bc63ebb00a2bNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-1010900000-fe207bdf84ae3120aa46Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0159-9151400000-41848f68d8ed4272842dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014l-9130000000-301607657fe50f9b31e1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0201900000-4176a41bd21769b3af12Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00lr-2903600000-6c1955e9823d10e7f00aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03du-9712000000-8d854572ac1bc4dd2123Not 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
3939.0Log mg/kg[2200:7000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
canceris_treatment_forNot AvailablePMC8839250
breast canceris_treatment_forNot AvailablePMC13319688
breast cancerhas_therapeutic_effect_onNot AvailablePMC6921965
anemiaassociated_withNot AvailablePMC13319688
neutropeniaassociated_withNot AvailablePMC13319688
thrombocytopeniaassociated_withNot AvailablePMC13319688
Prostate canceris_treatment_forNot AvailablePMC5436301
ovarian canceris_treatment_forNot AvailablePMC12735847 , PMC12964609 , PMC5436301 , PMC6781350 , PMC6781350 , PMC8015234
ovarian cancerhas_therapeutic_effect_onNot AvailablePMC5436301 , PMC6921965
acute myeloid leukemiaassociated_withNot AvailablePMC5436301
pancreatic cancerhas_therapeutic_effect_onNot AvailablePMC8015234
Exposure Sources
Source IDSourceSectorReference
358Antineoplastic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
2 pathways
Olaparib Drug Metabolism Action Pathway
Olaparib Drug Metabolism Action Pathway
Olaparib Predicted Metabolism Pathway
Olaparib Predicted Metabolism Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Mitogen-activated protein kinase 8 structureClick to view 3D structureMitogen-activated protein kinase 8P45983HumansPredicted (SEA)867.785
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)646.46
BDNF/NT-3 growth factors receptor structureClick to view 3D structureBDNF/NT-3 growth factors receptorQ16620HumansPredicted (SEA)824.112
NT-3 growth factor receptor structureClick to view 3D structureNT-3 growth factor receptorQ16288HumansPredicted (SEA)673.707
Cyclin-dependent kinase 1 structureClick to view 3D structureCyclin-dependent kinase 1P06493HumansPredicted (SEA)745.095
Poly [ADP-ribose] polymerase 1 structureClick to view 3D structurePoly [ADP-ribose] polymerase 1P09874HumansPredicted (SEA)5.91654
Poly [ADP-ribose] polymerase 2 structureClick to view 3D structurePoly [ADP-ribose] polymerase 2Q9UGN5HumansPredicted (SEA)4.28171
Poly [ADP-ribose] polymerase tankyrase-2 structureClick to view 3D structurePoly [ADP-ribose] polymerase tankyrase-2Q9H2K2HumansPredicted (SEA)4.7488
Poly [ADP-ribose] polymerase tankyrase-1 structureClick to view 3D structurePoly [ADP-ribose] polymerase tankyrase-1O95271HumansPredicted (SEA)4.7488
Click to view 3D structureProtein mono-ADP-ribosyltransferase TIPARPQ7Z3E1HumansPredicted (SEA)5.2159
Protein mono-ADP-ribosyltransferase PARP3 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP3Q9Y6F1HumansPredicted (SEA)2.80257
Protein mono-ADP-ribosyltransferase PARP10 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP10Q53GL7HumansPredicted (SEA)2.64687
Click to view 3D structureProline-rich acidic protein 1Q96NZ9HumansPredicted (SEA)3.97031
Protein mono-ADP-ribosyltransferase PARP12 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP12Q9H0J9HumansPredicted (SEA)2.41333
Click to view 3D structureProtein mono-ADP-ribosyltransferase PARP6Q2NL67HumansPredicted (SEA)1.94623
Protein mono-ADP-ribosyltransferase PARP11 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP11Q9NR21HumansPredicted (SEA)3.11397
Click to view 3D structureProtein mono-ADP-ribosyltransferase PARP8Q8N3A8HumansPredicted (SEA)0.934191
Protein mono-ADP-ribosyltransferase PARP4 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP4Q9UKK3HumansPredicted (SEA)1.47914
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)322.607
Protein mono-ADP-ribosyltransferase PARP15 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP15Q460N3HumansPredicted (SEA)5.68299
Cyclin-dependent kinase 6 structureClick to view 3D structureCyclin-dependent kinase 6Q00534HumansPredicted (SEA)52.159
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)831.196
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)809.632
High affinity nerve growth factor receptor structureClick to view 3D structureHigh affinity nerve growth factor receptorP04629HumansPredicted (SEA)936.604
Serine/threonine-protein kinase PLK4 structureClick to view 3D structureSerine/threonine-protein kinase PLK4O00444HumansPredicted (SEA)645.214
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available