| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | UO07O10TCJ |
Structure
| InChI Key | VKDGNNYJFSHYKD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H13ClF2N2O2 |
| Molecular Weight | 218.63 |
| AlogP | -0.23 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 89.34 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Cysteine protease
Cysteine protease CA clan
Cysteine protease C1A family
|
- | - | - | - | 31 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL536971 |
| EPA CompTox | DTXSID4045765 |
| FDA SRS | UO07O10TCJ |
| SureChEMBL | SCHEMBL3022583 |
CONTENTS