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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL354541
CHEMBL354541
Compound Name LOMITAPIDE
ChEMBL Synonyms LOMITAPIDE MESYLATE | AEGR-733 | BMS-201038-01 | JUXTAPID | BMS-201038 | BMS-201038-04 | LOMITAPIDE | LOJUXTA
Max Phase 4 (Approved)
Trade Names JUXTAPID | LOJUXTA
Molecular Formula C39H37F6N3O2

Additional synonyms for CHEMBL354541 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c3ccccc3c4ccc(cc4)C(F) ...
Download SMILES
Standard InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3- ...
Download InChI
Standard InChI Key MBBCVAKAJPKAKM-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL354541

Molecule Features

CHEMBL354541 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Microsomal triglyceride transfer protein inhibitor Microsomal triglyceride transfer protein DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
Hyperlipoproteinemia Type IID006938Orphanet:391665Homozygous familial hypercholesterolemia4ClinicalTrials
ClinicalTrials
HypercholesterolemiaD006937HP:0003124hypercholesterolemia2ClinicalTrials
Hyperlipoproteinemia Type IID006938EFO:0004911familial hypercholesterolemia4DailyMed
ClinicalTrials
HyperlipidemiasD006949EFO:0003774hyperlipidemia2ClinicalTrials

Clinical Data

ClinicalTrials.gov LOMITAPIDE
The Cochrane Collaboration LOMITAPIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
693.7 693.279 8.38 10 61.44 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 2 5 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.66 8.7 6.34 4.77 4 50 0.13

Structural Alerts

There are 4 structural alerts for CHEMBL354541. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AX - Other lipid modifying agents
C10AX12 - lomitapide

ChemSpider ChemSpider:MBBCVAKAJPKAKM-UHFFFAOYSA-N
DailyMed lomitapide mesylate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL354541



ACToR 182431-12-5
BindingDB 50098320
ChEBI 72297
DrugBank DB08827
DrugCentral 4721
EPA CompTox Dashboard DTXSID50171294
FDA SRS 82KUB0583F
Guide to Pharmacology 7439
IBM Patent System 0C27B7AF88F51DBEFC69F89A2209F681
LINCS LSM-45564
MolPort MolPort-028-754-209
Nikkaji J1.390.273I
PubChem 9853053
PubChem: Thomson Pharma 14815135
SureChEMBL SCHEMBL304604
ZINC ZINC000027990463

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MBBCVAKAJPKAKM-UHFFFAOYSA-N spacer
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