Lorlatinib (CED0004799)

Record Information
Version1.0
Creation Date2026-04-14 18:37:07 UTC
Update Date2026-08-21 18:15:59 UTC
Accession NumberCHEM131482
Identification
Common NameLorlatinib
ClassSmall Molecule
Description
Lorlatinib is an organic compound with the chemical formula C21H19FN6O2 and an average molecular weight of 406.42 g/mol. Lorlatinib belongs to the macrolactams, a class of phenylpropanoids and polyketides within the organic compounds. This compound is identified as being found in or released from two recorded sources: electric hearing aids within electrical and electronic equipment, and antineoplastic agents within healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure for this substance is oral. Lorlatinib acts on eleven recorded protein targets. It functions as an inhibitor of the ALK tyrosine kinase receptor, the proto-oncogene tyrosine-protein kinase ROS (ROS1), tyrosine-protein kinase STYK1, and tyrosine-protein kinase Fer (FER), as well as seven other proteins.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H19FN6O2
Average Molecular Mass406.421 g/mol
Monoisotopic Mass406.155 g/mol
CAS Registry Number1454846-35-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESC[C@H]1OC2=C(N)N=CC(=C2)C2=C(C#N)N(C)N=C2CN(C)C(=O)C2=C1C=C(F)C=C2
InChI IdentifierInChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
InChI KeyIIXWYSCJSQVBQM-LLVKDONJSA-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 GC-MSPredicted GC-MS Spectrumsplash10-002f-0009000000-e537208c5bf520bb96f4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0001900000-c7f08cc02ef7afd88142Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bvm-0749500000-5611c6f900ad5fe739baNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uk9-0930000000-af52527ae87eb0ea0eefNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0001900000-5c3c90965acaeecf9c87Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4r-0039500000-0802bc49c7980c853004Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0adi-9377000000-bbd6b451066081fc2709Not 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
802.0Log mg/kg[450:1400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
358Antineoplastic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
Pathways
1 pathway
Lorlatinib Drug Metabolism Action Pathway
Lorlatinib Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)1.08989
Proto-oncogene tyrosine-protein kinase ROS structureClick to view 3D structureProto-oncogene tyrosine-protein kinase ROSP08922HumansPredicted (SEA)4.7488
BDNF/NT-3 growth factors receptor structureClick to view 3D structureBDNF/NT-3 growth factors receptorQ16620HumansPredicted (SEA)8.56341
High affinity nerve growth factor receptor structureClick to view 3D structureHigh affinity nerve growth factor receptorP04629HumansPredicted (SEA)28.9599
Focal adhesion kinase 1 structureClick to view 3D structureFocal adhesion kinase 1Q05397HumansPredicted (SEA)29.1935
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)64.3813
NT-3 growth factor receptor structureClick to view 3D structureNT-3 growth factor receptorQ16288HumansPredicted (SEA)23.0434
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)146.59
Tyrosine-protein kinase Fer structureClick to view 3D structureTyrosine-protein kinase FerP16591HumansPredicted (SEA)38.1461
Activated CDC42 kinase 1 structureClick to view 3D structureActivated CDC42 kinase 1Q07912HumansPredicted (SEA)28.1036
Tyrosine-protein kinase Fes/Fps structureClick to view 3D structureTyrosine-protein kinase Fes/FpsP07332HumansPredicted (SEA)31.0618
Protein-tyrosine kinase 2-beta structureClick to view 3D structureProtein-tyrosine kinase 2-betaQ14289HumansPredicted (SEA)36.3556
Click to view 3D structureTyrosine-protein kinase FRKP42685HumansPredicted (SEA)44.1405
Leukocyte tyrosine kinase receptor structureClick to view 3D structureLeukocyte tyrosine kinase receptorP29376HumansPredicted (SEA)21.6421
Click to view 3D structureALK tyrosine kinase receptorP97793Mus musculusPredicted (SEA)0.544945
Activin receptor type-1 structureClick to view 3D structureActivin receptor type-1Q04771HumansPredicted (SEA)100.737
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)361.921
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)1096.9
Casein kinase I isoform epsilon structureClick to view 3D structureCasein kinase I isoform epsilonP49674HumansPredicted (SEA)206.845
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)1388.99
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)1267.54
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)1297.51
Dual specificity tyrosine-phosphorylation-regulated kinase 1B structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1BQ9Y463HumansPredicted (SEA)758.952
Dual specificity tyrosine-phosphorylation-regulated kinase 3 structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 3O43781HumansPredicted (SEA)920.022
Click to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 4Q9NR20HumansPredicted (SEA)896.122
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available