Molecule Details
| InChIKey | AHLBNYSZXLDEJQ-FWEHEUNISA-N |
|---|---|
| Compound Name | Orlistat |
| Canonical SMILES | CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01083 |
|---|---|
| Drug Name | Orlistat |
| CAS Number | 96829-58-2 |
| Groups | approved investigational |
| ATC Codes | A08AB01 |
| Description | The global prevalence of obesity is increasing rapidly. Obesity-related complications lead to significant personal and economic burden by reducing quality of life and increasing the cost of healthcare. In some individuals, diet and exercise are insufficient to maintain weight loss, and pharmacologic... |
Categories: Alimentary Tract and Metabolism Anti-Obesity Agents Antiobesity Preparations, Excl. Diet Products Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 Enzyme Inducers Enzyme Inhibitors Intestinal Lipase Inhibitor Lactones Lipase Inhibitors Lipid Regulating Agents Miscellaneous GI Drugs Peripherally Acting Antiobesity Products
Cross-references: BindingDB: 24567 ChEBI: 94686 CHEMBL175247 ChemSpider: 2298564 Drugs Product Database (DPD): 11884 PharmGKB: PA164776864 PubChem:3034010 PubChem:46508309 RxCUI: 37925 Therapeutic Targets Database: DAP000053 Wikipedia: Orlistat ZINC: ZINC000008214635
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11150 | LIPC | Homo sapiens | Human | PF00151 PF01477 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q9Y5X9 | LIPG | Homo sapiens | Human | PF00151 PF01477 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q9BV23 | ABHD6 | Homo sapiens | Human | PF00561 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q13093 | PLA2G7 | Homo sapiens | Human | PF03403 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9Y4D2 | DAGLA | Homo sapiens | Human | PF01764 | 7.2 | IC50 | ChEMBL;BindingDB |
| P06858 | LPL | Homo sapiens | Human | PF00151 PF01477 | 7.2 | IC50 | ChEMBL;BindingDB |
| O95870 | ABHD16A | Homo sapiens | Human | PF22990 PF00561 | 7.1 | IC50 | ChEMBL;BindingDB |
| P16233 | PNLIP | Homo sapiens | Human | PF00151 PF01477 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q8NCG7 | DAGLB | Homo sapiens | Human | PF01764 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q8N2K0 | ABHD12 | Homo sapiens | Human | PF00561 | 6.7 | IC50 | ChEMBL;BindingDB |
| P49327 | FASN | Homo sapiens | Human | PF00698 PF00107 PF21149 PF16197 PF00109 PF02801 PF08659 PF08242 PF21089 PF00550 PF00975 | 6.5 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P47712 | PLA2G4A | Cytosolic phospholipase A2 | inhibitor | enzymes |
| P49327 | FASN | Fatty acid synthase | inhibitor | enzymes |
| P07098 | P07098 | Gastric triacylglycerol lipase | inhibitor | targets |
| P16233 | PNLIP | Pancreatic triacylglycerol lipase | inhibitor | targets |
| P21554 | CNR1 | Cannabinoid receptor 1 | inhibitor | targets |
| P49327 | FASN | Fatty acid synthase | inhibitor | targets |