Synonyms: | |
Status: | Approved (2014) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | OU2YM37K86 |
InChI Key | UAUIUKWPKRJZJV-QPLHLKROSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C40H43N7O7S |
Molecular Weight | 765.89 |
AlogP | 3.64 |
Hydrogen Bond Acceptor | 10.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 189.65 |
Molecular species | ACID |
Aromatic Rings | 4.0 |
Heavy Atoms | 55.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Hepatitis C virus serine protease, NS3/NS4A inhibitor | FDA |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S29 family
Serine protease S29 regulatory subfamily
|
- | - | - | - | 97 | |
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S29 family
|
- | - | - | - | 97 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Hepatitis B, Chronic | 2 | D019694 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 1216941-48-8 |
ChEMBL | CHEMBL3391662 |
DrugBank | DB09297 |
DrugCentral | 4913 |
FDA SRS | OU2YM37K86 |
Guide to Pharmacology | 11273 |
PharmGKB | PA166163410 |
PubChem | 45110509 |
SureChEMBL | SCHEMBL3069964 |
ZINC | ZINC000197964623 |