ORLISTAT

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A08AB01
UNII 95M8R751W8
EPA CompTox DTXSID8023395

Structure

InChI Key AHLBNYSZXLDEJQ-FWEHEUNISA-N
Smiles CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
InChI
InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H53NO5
Molecular Weight 495.75
AlogP 6.88
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 23.0
Polar Surface Area 81.7
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Gastric lipase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1-990 - - -6.52-100
Enzyme Transferase
- - - 280 50-60
Enzyme
- 1-990 - 280 -6.52-100
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 84.62-85.27
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacteria
- 100 - - 92
Canis lupus familiaris
- - - - 51.5-60
Cavia porcellus
- - - - 82.7-87.3
Cricetulus griseus
- - - - 84.62-85.27
Electrophorus electricus
- - - -
Equus caballus
- - - - 7.43
Homo sapiens
- 1-780 - - 47-100
Mus musculus
- 20 - - 55-98
Rattus norvegicus
- 10 - - 6
Sus scrofa
- 4-990 - - 55-98

Target Conservation

Protein: Pancreatic lipase
Description: Pancreatic triacylglycerol lipase
Organism : Homo sapiens
P16233 ENSG00000175535

Cross References

Resources Reference
ChEBI 94686
ChEMBL CHEMBL175247
DrugBank DB01083
DrugCentral 1996
FDA SRS 95M8R751W8
Human Metabolome Database HMDB0015215
Guide to Pharmacology 5277
KEGG D04028
PharmGKB PA164776864
PubChem 3034010
SureChEMBL SCHEMBL16408
ZINC ZINC000008214635
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