Atogepant (CED0010473)

Record Information
Version1.0
Creation Date2026-04-14 20:35:57 UTC
Update Date2026-08-22 08:46:56 UTC
Accession NumberCHEM133562
Identification
Common NameAtogepant
ClassSmall Molecule
Description
Atogepant is a chemical compound with the molecular formula C29H23F6N5O3. Atogepant belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 603.52 g/mol, Atogepant is a heavy molecule. In terms of biological activity, the compound acts as an antagonist of the Calcitonin gene-related peptide type 1 receptor (CALCRL). The recorded route of exposure for this substance is oral. Atogepant is associated with 10 recorded sources across various sectors. Within healthcare, pharmaceuticals, and veterinary products, it is found in analgesics. It is also identified in food, food processing, and cookware, specifically in the processing of fish. In the building and construction sector, it is linked to ceilings, stairs, and ramps. Additionally, it is found in electrical and electronic equipment, including antennas, selectors, superconducting magnets, superconducting coils, discharge tubes with liquid pool cathodes, electric hearing aids, and one other source.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC29H23F6N5O3
Average Molecular Mass603.525 g/mol
Monoisotopic Mass603.171 g/mol
CAS Registry Number1374248-81-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESC[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=C4C=CC=N2)C(=O)N1CC(F)(F)F)C1=C(F)C(F)=CC=C1F
InChI IdentifierInChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1
InChI KeyQIVUCLWGARAQIO-OLIXTKCUSA-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
3825.0Log mg/kg[2200:6800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
370AnalgesicsHealthcare, pharmaceuticals & veterinary productsNot Available
495CeilingsBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
515Discharge Tubes With Liquid Pool CathodesElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
532SelectorsElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
551Processing FishFood, food processing & cookwareNot Available
593Nautical InstrumentsMarine, shipping & aquacultureNot Available
620Card GamesRecreation & sports surfacesNot Available
621Chutes And SlidesRecreation & sports surfacesNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, leather & furnishingsNot Available
651Purses Money Bags WalletsTextiles, leather & furnishingsNot Available
Pathways
2 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCalcitonin gene-related peptide type 1 receptorQ9R1W5Mus musculusPredicted (SEA)0.311397
Protein ADM2 structureClick to view 3D structureProtein ADM2Q7Z4H4HumansPredicted (SEA)0.934191
Click to view 3D structureCalcitonin gene-related peptide 2P10092HumansPredicted (SEA)0.934191
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)1111.61
Calcitonin gene-related peptide type 1 receptor structureClick to view 3D structureCalcitonin gene-related peptide type 1 receptorQ16602HumansPredicted (SEA)4.51525
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)2059.11
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)1462.71
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)1750.36
Sodium channel protein type 5 subunit alpha structureClick to view 3D structureSodium channel protein type 5 subunit alphaQ14524HumansPredicted (SEA)230.589
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)704.847
Click to view 3D structureCalcitonin gene-related peptide type 1 receptorQ63118Rattus norvegicusPredicted (SEA)1.01204
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)662.575
A disintegrin and metalloproteinase with thrombospondin motifs 5 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 5Q9UNA0HumansPredicted (SEA)232.38
Click to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 7Q1EHB3Rattus norvegicusPredicted (SEA)11.4438
Click to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 12P58397HumansPredicted (SEA)11.4438
Click to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 7Q68SA9Mus musculusPredicted (SEA)11.4438
Click to view 3D structureSerine palmitoyltransferase 3Q9NUV7HumansPredicted (SEA)97.078
Serine/threonine-protein kinase B-raf structureClick to view 3D structureSerine/threonine-protein kinase B-rafP15056HumansPredicted (SEA)2258.25
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)4336.28
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)2595.96
A disintegrin and metalloproteinase with thrombospondin motifs 1 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 1Q9UHI8HumansPredicted (SEA)86.4126
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)5624.92
RAF proto-oncogene serine/threonine-protein kinase structureClick to view 3D structureRAF proto-oncogene serine/threonine-protein kinaseP04049HumansPredicted (SEA)2878.94
A disintegrin and metalloproteinase with thrombospondin motifs 4 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 4O75173HumansPredicted (SEA)946.179
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)6060.48
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available