| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 2CQ62IWB67 |
Structure
| InChI Key | NIDRNVHMMDAAIK-YPMLDQLKSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H16F2N4O2S |
| Molecular Weight | 390.42 |
| AlogP | 2.52 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 89.6 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Aspartic protease
Aspartic protease AA clan
Aspartic protease A1A subfamily
|
- | 12-20 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Alzheimer Disease | 1 | D000544 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2396989 |
| DrugBank | DB12547 |
| EPA CompTox | DTXSID70155117 |
| FDA SRS | 2CQ62IWB67 |
| Guide to Pharmacology | 6475 |
| PDB | 3YS |
| PubChem | 49837968 |
| SureChEMBL | SCHEMBL966802 |
| ZINC | ZINC000070466423 |
CONTENTS