Synonyms: | |
Status: | Approved (1967) |
Entry Type: | Small molecule |
Molecule Category: | UKNOWN |
UNII: | 334895S862 |
InChI Key | JBIWCJUYHHGXTC-AKNGSSGZSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C22H24N2O8 |
Molecular Weight | 444.44 |
AlogP | -0.35 |
Hydrogen Bond Acceptor | 9.0 |
Hydrogen Bond Donor | 6.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 181.62 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 32.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Metallo protease
Metallo protease MAM clan
Metallo protease M10A subfamily
|
- | 24000 | - | - | - | |
Membrane receptor
|
- | - | - | - | 100 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 27 | |
Unclassified protein
|
- | - | - | - | 40 |
Resources | Reference |
---|---|
ChEBI | 50845 |
ChEMBL | CHEMBL1433 |
DrugBank | DB00254 |
DrugCentral | 961 |
EPA CompTox | DTXSID0037653 |
FDA SRS | 334895S862 |
Human Metabolome Database | HMDB0014399 |
KEGG | C06973 |
PDB | DXT |
SureChEMBL | SCHEMBL66828 |
ZINC | ZINC000016052277 |