Molecule Details
| InChIKey | OPSGVFWFNWOKAY-RSQVHZFPSA-N |
|---|---|
| Compound Name | (1R,2S,4R,7R,10S)-4-ethyl-15,15-difluoro-5,5-dioxo-10-[4-(trifluoromethyl)phenyl]sulfonyl-17-oxa-5lambda6-thia-6-azatetracyclo[8.8.0.02,7.011,16]octadeca-11(16),13-dien-12-one |
| Canonical SMILES | CC[C@@H]1C[C@@H]2[C@@H](CC[C@@]3(S(=O)(=O)c4ccc(C(F)(F)F)cc4)C4=C(OC[C@@H]23)C(F)(F)C=CC4=O)NS1(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 7.6 | IC50 | ChEMBL;BindingDB |
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 7.6 | IC50 | ChEMBL |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 7.6 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 7.6 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 7.6 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 7.6 | IC50 | ChEMBL |