Tirbanibulin (CED0014192)

Record Information
Version1.0
Creation Date2026-04-14 16:01:15 UTC
Update Date2026-08-22 06:30:13 UTC
Accession NumberCHEM129705
Identification
Common NameTirbanibulin
ClassSmall Molecule
Description
Tirbanibulin is an organic compound with the formula C26H29N3O3 and an average molecular weight of 431.54 g/mol. Tirbanibulin belongs to the phenylpyridines, a subclass of pyridines and derivatives within the organic compounds. This compound is categorized as an organoheterocyclic compound. It is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically as a chemotherapeutic agent, and is administered via topical exposure. Tirbanibulin acts on two recorded protein targets, serving as an inhibitor of the tubulin beta chain (TUBB) and the proto-oncogene tyrosine-protein kinase Src (SRC).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC26H29N3O3
Average Molecular Mass431.536 g/mol
Monoisotopic Mass431.221 g/mol
CAS Registry Number897016-82-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESO=C(CC1=CC=C(C=N1)C1=CC=C(OCCN2CCOCC2)C=C1)NCC1=CC=CC=C1
InChI IdentifierInChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
InChI KeyHUNGUWOZPQBXGX-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-3105900000-63224cbd6fcf41de2c0aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01po-9746600000-7dfb41fb29a9ab5ff3b7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03kc-9721100000-f6fdb9ad119e9a0b87a4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0000900000-53a48ad079ba2496b28cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-2122900000-f14931bd424a24c726c2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-3920000000-740906ad0c31d49c9d3cNot 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
747.0Log mg/kg[420:1300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
307ChemotherapeuticsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Tirbanibulin Drug Metabolism Action Pathway
Tirbanibulin Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)73.1783
Tyrosine-protein kinase Lyn structureClick to view 3D structureTyrosine-protein kinase LynP07948HumansPredicted (SEA)56.285
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)203.264
Activin receptor type-1 structureClick to view 3D structureActivin receptor type-1Q04771HumansPredicted (SEA)70.2978
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)53.2489
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)322.919
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)337.009
Ephrin type-A receptor 2 structureClick to view 3D structureEphrin type-A receptor 2P29317HumansPredicted (SEA)166.909
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)386.677
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)93.7305
Vascular endothelial growth factor receptor 1 structureClick to view 3D structureVascular endothelial growth factor receptor 1P17948HumansPredicted (SEA)220.78
Ribosomal protein S6 kinase alpha-1 structureClick to view 3D structureRibosomal protein S6 kinase alpha-1Q15418HumansPredicted (SEA)55.3508
MAP kinase-interacting serine/threonine-protein kinase 1 structureClick to view 3D structureMAP kinase-interacting serine/threonine-protein kinase 1Q9BUB5HumansPredicted (SEA)57.4527
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)144.722
TGF-beta receptor type-1 structureClick to view 3D structureTGF-beta receptor type-1P36897HumansPredicted (SEA)73.4897
Click to view 3D structureSigma intracellular receptor 2Q5U3Y7Rattus norvegicusPredicted (SEA)60.411
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)223.583
5'-AMP-activated protein kinase subunit beta-1 structureClick to view 3D structure5'-AMP-activated protein kinase subunit beta-1Q9Y478HumansPredicted (SEA)3.19182
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)286.563
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)515.673
Macrophage colony-stimulating factor 1 receptor structureClick to view 3D structureMacrophage colony-stimulating factor 1 receptorP07333HumansPredicted (SEA)379.281
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)407.852
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)387.845
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)301.354
Click to view 3D structureHistamine H1 receptorP31389Cavia porcellusPredicted (SEA)57.1413
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available