Lomitapide mesylateProduct ingredient for Lomitapide

Name
Lomitapide mesylate
Drug Entry
Lomitapide

Lomitapide is a microsomal triglyceride transfer protein (MTP) inhibitor used in homozygous familial hypercholesterolemia (HoFH) patients. It is marketed under the name Juxtapid (R).

Accession Number
DBSALT000110
Structure
Thumb
Synonyms
Not Available
UNII
X4S83CP54E
CAS Number
202914-84-9
Weight
Average: 789.826
Monoisotopic: 789.267111357
Chemical Formula
C40H41F6N3O5S
InChI Key
QKVKOFVWUHNEBX-UHFFFAOYSA-N
InChI
InChI=1S/C39H37F6N3O2.CH4O3S/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;1-5(2,3)4/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49);1H3,(H,2,3,4)
IUPAC Name
9-[4-(4-{[hydroxy({2-[4-(trifluoromethyl)phenyl]phenyl})methylidene]amino}piperidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboximidic acid; methanesulfonic acid
SMILES
CS(O)(=O)=O.OC(=NC1CCN(CCCCC2(C(O)=NCC(F)(F)F)C3=CC=CC=C3C3=CC=CC=C23)CC1)C1=CC=CC=C1C1=CC=C(C=C1)C(F)(F)F
PubChem Compound
11274333
ChemSpider
9449335
ChEBI
72299
ChEMBL
CHEMBL2105662
Wikipedia
Lomitapide
Predicted Properties
PropertyValueSource
Water Solubility0.000161 mg/mLALOGPS
logP7.12ALOGPS
logP6.79ChemAxon
logS-6.6ALOGPS
pKa (Strongest Acidic)5.97ChemAxon
pKa (Strongest Basic)9.58ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area68.42 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity193.39 m3·mol-1ChemAxon
Polarizability69.9 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon