Compound Detail
CHEMBL175247
ORLISTAT 💊 Approved Drug
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💊 Approved Drug
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Basic Information
| ChEMBL ID | CHEMBL175247 |
| Name | ORLISTAT |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | AHLBNYSZXLDEJQ-FWEHEUNISA-N |
| Therapeutic | ✓ Yes |
22
Targets
66
Activities
3
Assay Types
8
PK Parameters
20
Publications
14
Known Names
5
Indications
2
Mechanisms
Molecular Properties
495.8
MW (Da)
6.88
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.09
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1998 |
| Availability | OTC |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Gastric lipase inhibitor | INHIBITOR | Gastric triacylglycerol lipase | ✓ | ✓ |
| Pancreatic lipase inhibitor | INHIBITOR | Pancreatic triacylglycerol lipase | ✓ | ✓ |
Indications
Obesity Infertility Hyperlipoproteinemia Type I Polycystic Ovary Syndrome Metabolic Syndrome
ATC Classification
A08AB01
orlistat
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Activity Summary
IC50 61 meas. best 8.8
Ki 3 meas. best 6.55
EC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase CHEMBL1812 | IC50 | 8.8 | 7.466 | 1.6 | 5 |
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Pancreatic triacylglycerol lipase CHEMBL1687677 | IC50 | 8.4 | 6.7088 | 4.0 | 16 |
| Endothelial lipase CHEMBL5080 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 8.0 | 7.0733 | 10.0 | 3 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 6.1757 | 10.0 | 7 |
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 7.88 | 7.5457 | 13.2 | 7 |
| Diacylglycerol lipase-alpha CHEMBL5180 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Phosphatidylserine lipase ABHD16A CHEMBL6168 | IC50 | 7.52 | 7.145 | 30.0 | 2 |
| Platelet-activating factor acetylhydrolase CHEMBL3514 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Diacylglycerol lipase-beta CHEMBL5521 | IC50 | 7.22 | 6.8 | 60.0 | 2 |
| Lipoprotein lipase CHEMBL2060 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Lysophosphatidylserine lipase ABHD12 CHEMBL5516 | IC50 | 7.1 | 6.796 | 80.0 | 5 |
| Fatty acid synthase CHEMBL4158 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 5.8 | 5.175 | 1600.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Fatty acid synthase CHEMBL4158 | IC50 | 5.33 | 5.33 | 4630.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.07 | 5.07 | 8450.0 | 1 |
| Pancreatic triacylglycerol lipase CHEMBL1687677 | Ki | 5.01 | 5.01 | 9800.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.15 | 4.15 | 70200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| PPB | 1.0 | % | Homo sapiens |
| T1/2 | 0.008667 | hr | Homo sapiens |
| T1/2 | 0.009833 | hr | Canis lupus familiaris |
| T1/2 | 0.006667 | hr | Cavia porcellus |
| T1/2 | 0.009167 | hr | Homo sapiens |
| T1/2 | 0.02767 | hr | Sus scrofa |
| T1/2 | 0.02733 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine