Molecule Details
| InChIKey | PUOAETJYKQITMO-LANLRWRYSA-N |
|---|---|
| Compound Name | E-2012 |
| Canonical SMILES | COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.09 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05171 |
|---|---|
| Drug Name | E-2012 |
| CAS Number | 870843-42-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | E-2012 is a gamma secretase modulator that is being evaluated as a potential new treatment for Alzheimer's disease. |
Categories: Amyloid Precursor Protein Secretases Enzyme Inhibitors Gamma Secretase Inhibitors and Modulators
Cross-references: BindingDB: 50364033 CHEMBL1224151 ChemSpider: 9735561 PDB: GZR PubChem:11560787 PubChem:175426954 ZINC: ZINC000034997331
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 7.1 | IC50 | ChEMBL;BindingDB |
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 7.1 | IC50 | ChEMBL |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 7.1 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 7.1 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 7.1 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 7.1 | IC50 | ChEMBL |
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 |