Synonyms: | |
Status: | Approved (1995) |
Entry Type: | Small molecule |
Molecule Category: | Parent Prodrug |
ATC: | C09AA13 |
UNII: | WT87C52TJZ |
InChI Key | UWWDHYUMIORJTA-HSQYWUDLSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C27H34N2O7 |
Molecular Weight | 498.58 |
AlogP | 2.58 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 11.0 |
Polar Surface Area | 114.4 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 36.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M2 family
|
- | 3-56 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Liver Cirrhosis, Biliary | 2 | D008105 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 103775-10-6 |
ChEBI | 6960 |
ChEMBL | CHEMBL1165 |
DrugBank | DB00691 |
DrugCentral | 1827 |
EPA CompTox | DTXSID9023330 |
FDA SRS | WT87C52TJZ |
Human Metabolome Database | HMDB0014829 |
Guide to Pharmacology | 6571 |
KEGG | C07704 |
PharmGKB | PA164769059 |
PubChem | 91270 |
SureChEMBL | SCHEMBL34030 |
ZINC | ZINC000003812306 |