LOMITAPIDE MESYLATE

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Trade Names:
Synonyms:
Status: Approved (2012)
Entry Type: Small molecule
Molecule Category: Salt
UNII: X4S83CP54E
Parent Compound: LOMITAPIDE

Structure
InChI Key QKVKOFVWUHNEBX-UHFFFAOYSA-N
Smile CS(=O)(=O)O.O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H41F6N3O5S
Molecular Weight 789.84
AlogP 8.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 61.44
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 50.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Microsomal triglyceride transfer protein inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyperlipoproteinemia Type II 4 D006938 ClinicalTrials
Hypercholesterolemia 4 D006937 ClinicalTrials
Hyperlipidemias 2 D006949 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
24.34
Investigations
16.4
General disorders and administration site conditions
8.64
Surgical and medical procedures
7.43
Cardiac disorders
5.22
Nervous system disorders
5.09
Vascular disorders
4.64
Respiratory, thoracic and mediastinal disorders
4.48
Musculoskeletal and connective tissue disorders
4.28
Infections and infestations
3.59
Injury, poisoning and procedural complications
3.27
Metabolism and nutrition disorders
3.07

Cross References

Resources Reference
ChEBI 72299
ChEMBL CHEMBL2105662
EPA CompTox DTXSID60174170
FDA SRS X4S83CP54E
KEGG D09637
PubChem 11274333
SureChEMBL SCHEMBL2731380
ZINC ZINC27990463
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