Synonyms: | |
Status: | Approved (1994) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | C09AA11 |
UNII: | 96U2K78I3V |
InChI Key | HRWCVUIFMSZDJS-SZMVWBNQSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C22H30N2O5S2 |
Molecular Weight | 466.63 |
AlogP | 2.39 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 9.0 |
Polar Surface Area | 95.94 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 31.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M2 family
|
- | 67 | - | - | - |
Resources | Reference |
---|---|
ChEBI | 135756 |
ChEMBL | CHEMBL431 |
DrugBank | DB01348 |
DrugCentral | 2474 |
EPA CompTox | DTXSID1044300 |
FDA SRS | 96U2K78I3V |
Human Metabolome Database | HMDB0015438 |
Guide to Pharmacology | 6575 |
PharmGKB | PA164776913 |
PubChem | 5311447 |
SureChEMBL | SCHEMBL17202 |
ZINC | ZINC000004217459 |