Molecule Details
| InChIKey | YHYKUSGACIYRML-KRWDZBQOSA-N |
|---|---|
| Canonical SMILES | CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12285 |
|---|---|
| Drug Name | Verubecestat |
| CAS Number | 1286770-55-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Verubecestat is under investigation for the treatment of Alzheimer's Disease, Prodromal Alzheimer's disease, and Amnestic Mild Cognitive Impairment. Verubecestat is Merck’s investigational oral β-site amyloid precursor protein cleaving enzyme (BACE1 or β secretase) inhibitor. In July 2013, Merck ann... |
Categories: Sulfur Compounds Thiazines
Cross-references: BindingDB: 47353 CHEMBL3301601 ChemSpider: 31399364 PDB: 66F PubChem:51352361 PubChem:347828553 Wikipedia: Verubecestat ZINC: ZINC000144542146
Target Activities (2)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P56817 | BACE1 | Beta-secretase 1 | inhibitor | targets |