Opnurasib (CED0023050)

Record Information
Version1.0
Creation Date2026-04-15 18:12:47 UTC
Update Date2026-08-22 08:51:37 UTC
Accession NumberCHEM137624
Identification
Common NameOpnurasib
ClassSmall Molecule
Description
Opnurasib is an organic compound with the chemical formula C29H28ClN7O. Opnurasib belongs to the pyrazoles, a subclass of azoles within the organic compounds. With an average molecular weight of 526.04 g/mol, Opnurasib is a heavy molecule. In terms of biological activity, it acts as an inhibitor of the protein target GTPase KRas (KRAS). The compound has been identified in or released from 13 recorded sources across several diverse categories. Within electrical and electronic equipment, it is associated with antennas, relays, amplifiers, sparking plugs, and line transmission systems, among one other source. It is also found in food, cookware, and food processing environments, specifically in the treatment of hops, processing fish, and agglomerated sugar products. Additionally, Opnurasib is linked to household cleaning and consumer products, including soap dispensers and tobacco product cases. Other recorded sources include household items such as medals and building and construction materials, specifically tents or canopies.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC29H28ClN7O
Average Molecular Mass526.040 g/mol
Monoisotopic Mass525.204 g/mol
CAS Registry Number2653994-08-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN1N=CC2=CC(=CC=C12)C1=NN(C2CC3(C2)CN(C3)C(=O)C=C)C(C)=C1C1=C2C=NNC2=CC(C)=C1Cl
InChI IdentifierInChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)
InChI KeyAZUYLZMQTIKGSC-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
769.0Log mg/kg[430:1400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
503Tents Or CanopiesBuilding & ConstructionNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
541Agglomerated Sugar ProductsFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
574MedalsHousehold itemsNot Available
577Watch ChainsHousehold itemsNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
621Chutes And SlidesRecreation & sports surfacesNot Available
622Game AccessoriesRecreation & sports surfacesNot Available
634BucklesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)143.243
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)257.914
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)195.869
GTPase KRas structureClick to view 3D structureGTPase KRasP01116HumansPredicted (SEA)3.89246
Sodium channel protein type 5 subunit alpha structureClick to view 3D structureSodium channel protein type 5 subunit alphaQ14524HumansPredicted (SEA)105.408
Voltage-dependent L-type calcium channel subunit alpha-1C structureClick to view 3D structureVoltage-dependent L-type calcium channel subunit alpha-1CQ13936HumansPredicted (SEA)14.2464
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)2469.22
Tyrosine-protein kinase ITK/TSK structureClick to view 3D structureTyrosine-protein kinase ITK/TSKQ08881HumansPredicted (SEA)2036.69
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)3332.88
Tyrosine-protein kinase TXK structureClick to view 3D structureTyrosine-protein kinase TXKP42681HumansPredicted (SEA)758.251
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)3081.35
Click to view 3D structureTyrosine-protein kinase BlkP51451HumansPredicted (SEA)2344.66
Fibroblast growth factor receptor 2 structureClick to view 3D structureFibroblast growth factor receptor 2P21802HumansPredicted (SEA)1248.94
Tyrosine-protein kinase Tec structureClick to view 3D structureTyrosine-protein kinase TecP42680HumansPredicted (SEA)1000.75
Cytoplasmic tyrosine-protein kinase BMX structureClick to view 3D structureCytoplasmic tyrosine-protein kinase BMXP51813HumansPredicted (SEA)1228.77
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)3971.71
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)3761.44
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)4582.67
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)4108.34
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)4397.0
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)4166.57
Tyrosine-protein kinase Lyn structureClick to view 3D structureTyrosine-protein kinase LynP07948HumansPredicted (SEA)3450.12
Fibroblast growth factor receptor 3 structureClick to view 3D structureFibroblast growth factor receptor 3P22607HumansPredicted (SEA)3247.95
Receptor tyrosine-protein kinase erbB-4 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-4Q15303HumansPredicted (SEA)3210.97
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)4527.32
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available