Molecule Details
| InChIKey | LUBHDINQXIHVLS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tolrestat |
| Canonical SMILES | COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02383 |
|---|---|
| Drug Name | Tolrestat |
| CAS Number | 82964-04-3 |
| Groups | approved withdrawn |
| ATC Codes | A10XA01 |
| Description | Tolrestat (INN) (AY-27773) is an aldose reductase inhibitor which was approved for the control of certain diabetic complications. While it was approved for marketed in several countries, it failed a Phase III trial in the U.S. due to toxicity and never received FDA approval. It was sold under the tr... |
Categories: Aldehyde Reductase, antagonists & inhibitors Aldose Reductase Inhibitors Alimentary Tract and Metabolism Drugs Used in Diabetes Enzyme Inhibitors
Cross-references: BindingDB: 16314 ChEBI: 48549 CHEMBL436 ChemSpider: 48194 C01621 D02323 PDB: TOL PubChem:53359 PubChem:46508274 RxCUI: 38386 Therapeutic Targets Database: DNC001455 Wikipedia: Tolrestat ZINC: ZINC000003780343
Target Activities (3)
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O60218 | AKR1B10 | Aldo-keto reductase family 1 member B10 | binder | targets |
| P14550 | AKR1A1 | Aldo-keto reductase family 1 member A1 | binder | targets |
| Q99720 | SIGMAR1 | Sigma non-opioid intracellular receptor 1 | binder | targets |
| P15121 | AKR1B1 | Aldo-keto reductase family 1 member B1 | inhibitor | targets |