ezetimibe

Ligand id: 6816

Name: ezetimibe

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 60.77
Molecular weight 409.15
XLogP 5.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
International Nonproprietary Names
INN number INN
8010 ezetimibe
Synonyms
SCH 58235 | SCH-58235 | Zetia®
Database Links
CAS Registry No. 163222-33-1
ChEMBL Ligand CHEMBL1138
DrugBank Ligand DB00973
PubChem CID 150311
Search Google for chemical match using the InChIKey OLNTVTPDXPETLC-XPWALMASSA-N
Search Google for chemicals with the same backbone OLNTVTPDXPETLC
Search PubMed clinical trials ezetimibe
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Search UniChem for chemical match using the InChIKey OLNTVTPDXPETLC-XPWALMASSA-N
Search UniChem for chemicals with the same backbone OLNTVTPDXPETLC
Wikipedia Ezetimibe
Comments
Inhibits the intestinal cholesterol uptake protein Niemann-Pick C1-like protein 1