| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | PDC6A3C0OX |
Structure
| InChI Key | PEDCQBHIVMGVHV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H8O3 |
| Molecular Weight | 92.09 |
| AlogP | -1.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 60.69 |
| 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
|
- | - | - | - | 28 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Meningitis, Bacterial | 3 | D016920 | ClinicalTrials |
| Otitis Media | 3 | D010033 | ClinicalTrials |
| Conjunctivitis, Allergic | 3 | D003233 | ClinicalTrials |
| Pancreatitis | 3 | D010195 | ClinicalTrials |
| HIV Infections | 2 | D015658 | ClinicalTrials |
| Dry Eye Syndromes | 2 | D015352 | ClinicalTrials |
| Refractive Errors | 2 | D012030 | ClinicalTrials |
| Sarcoma | 2 | D012509 | ClinicalTrials |
| Peanut Hypersensitivity | 1 | D021183 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56-81-5 |
| ChEBI | 17754 |
| ChEMBL | CHEMBL692 |
| DrugBank | DB09462 |
| DrugCentral | 1316 |
| EPA CompTox | DTXSID9020663 |
| FDA SRS | PDC6A3C0OX |
| Human Metabolome Database | HMDB0000131 |
| Guide to Pharmacology | 5195 |
| KEGG | C00116 |
| PDB | GOL |
| PubChem | 753 |
| SureChEMBL | SCHEMBL797 |
| ZINC | ZINC000000895048 |
CONTENTS