Synonyms: | |
Status: | Approved (1991) |
Entry Type: | Small molecule |
Molecule Category: | Parent Prodrug |
ATC: | C09AA06 |
UNII: | RJ84Y44811 |
InChI Key | JSDRRTOADPPCHY-HSQYWUDLSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C25H30N2O5 |
Molecular Weight | 438.52 |
AlogP | 2.57 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 9.0 |
Polar Surface Area | 95.94 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 32.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M2 family
|
- | 8-8 | - | - | - | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 15500-94000 | - | - | - |
Resources | Reference |
---|---|
CAS NUMBER | 85441-61-8 |
ChEBI | 8713 |
ChEMBL | CHEMBL1592 |
DrugBank | DB00881 |
DrugCentral | 2340 |
EPA CompTox | DTXSID4023547 |
FDA SRS | RJ84Y44811 |
Human Metabolome Database | HMDB0015019 |
Guide to Pharmacology | 6350 |
KEGG | C07398 |
PharmGKB | PA451205 |
PubChem | 54892 |
SureChEMBL | SCHEMBL15813 |
ZINC | ZINC000003801163 |