orlistat

Ligand id: 5277

Name: orlistat

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 24
Topological polar surface area 81.7
Molecular weight 495.39
XLogP 10.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1999), EMA (1998))
IUPAC Name
(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate
International Nonproprietary Names
INN number INN
6318 orlistat
Synonyms
Alli® | tetrahydrolipstatin | THL | Xenical®
Database Links
CAS Registry No. 96829-58-2 (source: PubChem)
ChEMBL Ligand CHEMBL175247
DrugBank Ligand DB01083
PubChem CID 3034010
Search Google for chemical match using the InChIKey AHLBNYSZXLDEJQ-FWEHEUNISA-N
Search Google for chemicals with the same backbone AHLBNYSZXLDEJQ
Search PubMed clinical trials orlistat
Search PubMed titles orlistat
Search PubMed titles/abstracts orlistat
Search UniChem for chemical match using the InChIKey AHLBNYSZXLDEJQ-FWEHEUNISA-N
Search UniChem for chemicals with the same backbone AHLBNYSZXLDEJQ
Wikipedia Tetrahydrolipstatin
Comments
At least 18 isomeric forms exist in PubChem.