Molecule Details
| InChIKey | PSXOKXJMVRSARX-SCSAIBSYSA-N |
|---|---|
| Compound Name | Begacestat |
| Canonical SMILES | O=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.83 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12263 |
|---|---|
| Drug Name | Begacestat |
| CAS Number | 769169-27-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Begacestat has been used in trials studying the treatment and basic science of Alzheimer Disease. |
Categories: Amides Amyloid Precursor Protein Secretases Enzyme Inhibitors Gamma Secretase Inhibitors and Modulators Sulfones Sulfur Compounds
Cross-references: BindingDB: 28922 CHEMBL463981 ChemSpider: 9444364 PubChem:11269353 PubChem:347828535 ZINC: ZINC000030691750
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 7.8 | IC50 | ChEMBL |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 7.8 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 7.8 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 7.8 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 7.8 | IC50 | ChEMBL |
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 7.8 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P49768 | PSEN1 | Presenilin-1 | modulator | targets |
| Q8WW43 | APH1B | Gamma-secretase subunit APH-1B | modulator | targets |
| Q92542 | NCSTN | Nicastrin | modulator | targets |
| Q96BI3 | APH1A | Gamma-secretase subunit APH-1A | modulator | targets |
| Q9NZ42 | PSENEN | Gamma-secretase subunit PEN-2 | modulator | targets |