Trade Names: | |
Synonyms: | |
Status: | Approved (1997) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 98D603VP8V |
Parent Compound: | NELFINAVIR |
InChI Key | NQHXCOAXSHGTIA-SKXNDZRYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C33H49N3O7S2 |
Molecular Weight | 663.9 |
AlogP | 4.75 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 9.0 |
Polar Surface Area | 101.9 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 40.0 |
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 A2A subfamily
|
- | - | - | 2 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
AIDS-Associated Nephropathy | 3 | D016263 | ClinicalTrials |
Sarcoma, Kaposi | 2 | D012514 | ClinicalTrials |
Sarcoma | 2 | D012509 | ClinicalTrials |
Multiple Myeloma | 1 | D009101 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Liposarcoma | 1 | D008080 | ClinicalTrials |
Central Nervous System Neoplasms | 1 | D016543 | ClinicalTrials |
Lung Neoplasms | 1 | D008175 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 7497 |
ChEMBL | CHEMBL1205 |
EPA CompTox | DTXSID2033736 |
FDA SRS | 98D603VP8V |
KEGG | C08091 |
PDB | 1UN |
PubChem | 64142 |
SureChEMBL | SCHEMBL40942 |
ZINC | ZINC03833846 |