Trade Names: | |
Synonyms: | |
Status: | Approved (2003) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | J05AE08 |
UNII: | QZU4H47A3S |
InChI Key | AXRYRYVKAWYZBR-GASGPIRDSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C38H52N6O7 |
Molecular Weight | 704.87 |
AlogP | 4.21 |
Hydrogen Bond Acceptor | 9.0 |
Hydrogen Bond Donor | 5.0 |
Number of Rotational Bond | 14.0 |
Polar Surface Area | 171.22 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 51.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | 26 | - | - | - | |
Enzyme
Protease
Aspartic protease
Aspartic protease AA clan
Aspartic protease A2A subfamily
|
- | 4 | 0 | 0-1 | - | |
Enzyme
Protease
Cysteine protease
Cysteine protease PAC clan
Cysteine protease C3A subfamily
|
1 | 0-4 | - | 0-3 | - | |
Enzyme
Transferase
|
- | 300-600 | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | 1400 | - | 1300 | 90 | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 67800 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
HIV Infections | 3 | D015658 | ClinicalTrials |
HIV Infections | 3 | D015658 | ClinicalTrials |
Acquired Immunodeficiency Syndrome | 3 | D000163 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
Diabetes Mellitus, Type 1 | 1 | D003922 | ClinicalTrials |
Hematologic Neoplasms | 1 | D019337 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 198904-31-3 |
ChEBI | 37924 |
ChEMBL | CHEMBL1163 |
DrugBank | DB01072 |
DrugCentral | 254 |
EPA CompTox | DTXSID9048691 |
FDA SRS | QZU4H47A3S |
Human Metabolome Database | HMDB0015205 |
Guide to Pharmacology | 11138 |
PDB | DR7 |
PharmGKB | PA10251 |
PubChem | 148192 |
SureChEMBL | SCHEMBL41696 |
ZINC | ZINC000003941496 |