| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2019) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | P02BX04 |
| UNII: | 4784C8E03O |
Structure
| InChI Key | NQPDXQQQCQDHHW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H9Cl3N2OS |
| Molecular Weight | 359.67 |
| AlogP | 6.04 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.91 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Cysteine protease
Cysteine protease CA clan
Cysteine protease C1A family
|
- | 15000 | - | - | - |
Indications
Related Entries
Scaffolds
Adverse Reactions
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68786-66-3 |
| ChEBI | 94759 |
| ChEMBL | CHEMBL1086440 |
| DrugBank | DB12245 |
| DrugCentral | 2734 |
| EPA CompTox | DTXSID7043952 |
| FDA SRS | 4784C8E03O |
| PubChem | 50248 |
| SureChEMBL | SCHEMBL165712 |
| ZINC | ZINC000001444556 |
CONTENTS