Trade Names: | |
Synonyms: | |
Status: | Approved (2005) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | J05AE09 |
UNII: | ZZT404XD09 |
InChI Key | SUJUHGSWHZTSEU-FYBSXPHGSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C31H33F3N2O5S |
Molecular Weight | 602.68 |
AlogP | 7.33 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 11.0 |
Polar Surface Area | 105.59 |
Molecular species | ACID |
Aromatic Rings | 3.0 |
Heavy Atoms | 42.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Human immunodeficiency virus type 1 protease inhibitor | DailyMed |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Aspartic protease
Aspartic protease AA clan
Aspartic protease A1A subfamily
|
- | - | - | 15000 | - | |
Enzyme
Protease
Aspartic protease
Aspartic protease AA clan
Aspartic protease A2A subfamily
|
- | 30-30 | - | 0-0 | - | |
Enzyme
Protease
Cysteine protease
Cysteine protease PAC clan
Cysteine protease C3A subfamily
|
- | - | - | 0 | - | |
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M2 family
|
- | - | - | - | 31 | |
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M48A subfamily
|
- | 1200 | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 109 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
HIV Infections | 4 | D015658 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 174484-41-4 |
ChEBI | 63628 |
ChEMBL | CHEMBL222559 |
DrugBank | DB00932 |
DrugCentral | 3609 |
EPA CompTox | DTXSID6048622 |
FDA SRS | ZZT404XD09 |
KEGG | D08605 |
PDB | TPV |
PubChem | 54682461 |
SureChEMBL | SCHEMBL40629 |
ZINC | ZINC000100016058 |