lomitapide   Click here for help

GtoPdb Ligand ID: 7439

Synonyms: AEGR-733 | BMS-201038 | Juxtapid® | Lojuxta®
Approved drug
lomitapide is an approved drug (FDA (2012), EMA (2013))
Compound class: Synthetic organic
Comment: Lomitapide is a lipid-lowering agent for the treatment of familial hypercholesterolemia.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 61.44
Molecular weight 693.28
XLogP 10.09
No. Lipinski's rules broken 2
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Canonical SMILES O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2
Isomeric SMILES O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2
InChI InChI=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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2012), EMA (2013))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9120 lomitapide
Synonyms Click here for help
AEGR-733 | BMS-201038 | Juxtapid® | Lojuxta®
Database Links Click here for help
CAS Registry No. 82431-12-5
ChEMBL Ligand CHEMBL354541
DrugBank Ligand DB08827
DrugCentral Ligand 4721
GtoPdb PubChem SID 178104011
PubChem CID 9853053
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UniChem Compound Search for chemical match using the InChIKey MBBCVAKAJPKAKM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey MBBCVAKAJPKAKM-UHFFFAOYSA-N
Wikipedia Lomitapide