| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | O10DDW6JOO |
Structure
| InChI Key | RXKJFZQQPQGTFL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H6O3 |
| Molecular Weight | 90.08 |
| AlogP | -1.46 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 57.53 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 6.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 15 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 16016 |
| ChEMBL | CHEMBL1229937 |
| DrugBank | DB01775 |
| FDA SRS | O10DDW6JOO |
| Human Metabolome Database | HMDB0001882 |
| KEGG | C00184 |
| PDB | 2HA |
| PubChem | 670 |
| SureChEMBL | SCHEMBL70 |
| ZINC | ZINC000084397769 |
CONTENTS