Lomitapide (CED0007939)

Record Information
Version1.0
Creation Date2026-04-14 17:32:23 UTC
Update Date2026-08-22 12:13:53 UTC
Accession NumberCHEM130273
Identification
Common NameLomitapide
ClassSmall Molecule
Description
Lomitapide is an organic compound with the chemical formula C39H37F6N3O2. Lomitapide belongs to the fluorenes, a class of benzenoids within the organic compounds. With an average molecular weight of 693.72 g/mol, Lomitapide is a heavy molecule. This compound is used as a lipid modifying agent within healthcare, pharmaceuticals, and veterinary products, and it is administered via the oral exposure route. Mechanistically, it functions as an inhibitor of the microsomal triglyceride transfer protein large subunit (MTTP).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC39H37F6N3O2
Average Molecular Mass693.720 g/mol
Monoisotopic Mass693.279 g/mol
CAS Registry Number182431-12-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=C(C=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=CC=CC=C12
InChI IdentifierInChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
InChI KeyMBBCVAKAJPKAKM-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 Spectrumsplash10-0006-2001219000-6355e4523ebce81ed393Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-6094133000-d842bc906f7937f345a6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-6197010000-2b0fad84ddf4e6015aabNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000009000-01f058276a30a0a90ae6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-2151129000-9f4ee77b1cebb7154118Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-022d-6292000000-6929238400efb8154d63Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0007-0060009000-10cb69936336e337e268Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0010019000-6c05809839268e373f80Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05mk-1591502000-cb9f29bb9ef3e2d474abNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000009000-55d8427fb7c8c430fedeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-8234439000-2a478d85425a9ab20f2cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fmm-3589022000-15e1237fab50004167d4Not 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
676.0Log mg/kg[380:1200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
298Lipid modifying agentsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
2 pathways
Lomitapide Drug Metabolism Action Pathway
Lomitapide Drug Metabolism Action Pathway
Lomitapide Predicted Metabolism Pathway
Lomitapide Predicted Metabolism Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Microsomal triglyceride transfer protein large subunit structureClick to view 3D structureMicrosomal triglyceride transfer protein large subunitP55157HumansPredicted (SEA)0.467095
Click to view 3D structureMicrosomal triglyceride transfer protein large subunitP55156Bos taurusPredicted (SEA)0.389246
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)400.145
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)299.175
Methionine synthase structureClick to view 3D structureMethionine synthaseQ99707HumansPredicted (SEA)0.622794
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)1153.41
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)649.963
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)787.056
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)539.962
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)533.267
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)352.735
Melanin-concentrating hormone receptor 1 structureClick to view 3D structureMelanin-concentrating hormone receptor 1Q99705HumansPredicted (SEA)82.6759
C-C chemokine receptor type 2 structureClick to view 3D structureC-C chemokine receptor type 2P41597HumansPredicted (SEA)41.4158
Click to view 3D structureEukaryotic translation initiation factor 2-alpha kinase 3Q9Z1Z1Rattus norvegicusPredicted (SEA)50.1349
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)418.907
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)596.559
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)388.701
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)237.674
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)563.784
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)388.078
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)571.569
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)329.614
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)415.559
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)281.425
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)1616.85
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available