Synonyms: | |
Status: | Approved (2013) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | J05AP05 |
UNII: | 9WS5RD66HZ |
InChI Key | JTZZSQYMACOLNN-VDWJNHBNSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C38H47N5O7S2 |
Molecular Weight | 749.96 |
AlogP | 5.25 |
Hydrogen Bond Acceptor | 10.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 8.0 |
Polar Surface Area | 156.89 |
Molecular species | ACID |
Aromatic Rings | 3.0 |
Heavy Atoms | 52.0 |
Primary Target | |
---|---|
Hepatitis C virus genome polyprotein |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Cysteine protease
Cysteine protease CA clan
Cysteine protease C1A family
|
- | 800 | - | - | - | |
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S29 family
Serine protease S29 regulatory subfamily
|
- | - | - | 0 | - | |
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S29 family
|
- | - | - | 0 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Hepatitis C, Chronic | 4 | D019698 | ClinicalTrials |
Hepatitis C | 3 | D006526 | ClinicalTrials |
Renal Insufficiency, Chronic | 2 | D051436 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 923604-59-5 |
ChEBI | 134743 |
ChEMBL | CHEMBL501849 |
DrugBank | DB06290 |
DrugCentral | 4812 |
FDA SRS | 9WS5RD66HZ |
Guide to Pharmacology | 7367 |
PDB | 30B |
PubChem | 24873435 |
SureChEMBL | SCHEMBL826061 |
ZINC | ZINC000085540268 |