Trade Names: | |
Synonyms: | |
Status: | Approved (2013) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 16U7H60184 |
Parent Compound: | SIMEPREVIR |
InChI Key | LLXQGDWGCCKOQP-MVZLLIIPSA-M |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C38H46N5NaO7S2 |
Molecular Weight | 771.94 |
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 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Hepatitis C virus serine protease, NS3/NS4A inhibitor | FDA |
Resources | Reference |
---|---|
ChEMBL | CHEMBL3137358 |
FDA SRS | 16U7H60184 |
PubChem | 46866715 |