| InChI Key | QAIPRVGONGVQAS-DUXPYHPUSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.16 |
| AlogP | 1.2 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 77.76 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 0-13 | |
|
Enzyme
Oxidoreductase
|
- | - | - | - | 0-600 | |
|
Enzyme
Protease
Metallo protease
Metallo protease MAM clan
Metallo protease M10A subfamily
|
- | 10-238.91 | - | - | - | |
|
Enzyme
Transferase
|
- | 92.82 | - | - | - | |
|
Enzyme
|
- | 10-238.91 | - | - | 0-600 | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Angiotensin receptor
|
- | 124.6 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 69.6-94 |
| Resources | Reference |
|---|---|
| ChEBI | 16433 |
| ChEMBL | CHEMBL145 |
| DrugBank | DB01880 |
| FDA SRS | U2S3A33KVM |
| Guide to Pharmacology | 5155 |
| KEGG | C01481 |
| PDB | DHC |
| PubChem | 689043 |
| SureChEMBL | SCHEMBL23358 |
| ZINC | ZINC000000058172 |