| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1962) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | M4R0H12F6M |
Structure
| InChI Key | CJCSPKMFHVPWAR-JTQLQIEISA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C10H13NO4 | |
| Molecular Weight | 211.22 | |
| AlogP | 0.44 | |
| Hydrogen Bond Acceptor | 4.0 | |
| Hydrogen Bond Donor | 4.0 | |
| Number of Rotational Bond | 3.0 | |
| Polar Surface Area | 103.78 | |
| Molecular species | ZWITTERION | |
| Aromatic Rings | 1.0 | |
| Heavy Atoms | 15.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
|
Epigenetic regulator
Eraser
Lysine demethylase
Jumonji domain-containing
|
- | 3000 | - | - | - | ||
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 104 | ||
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference | ||
|---|---|---|---|---|---|
| Pre-Eclampsia | 2 | D011225 | ClinicalTrials | ||
| Diabetes Mellitus, Type 1 | 2 | D003922 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 555-30-6 |
| ChEBI | 61058 |
| ChEMBL | CHEMBL459 |
| DrugBank | DB00968 |
| DrugCentral | 1762 |
| EPA CompTox | DTXSID5023295 |
| FDA SRS | M4R0H12F6M |
| Human Metabolome Database | HMDB0011754 |
| Guide to Pharmacology | 5217 |
| KEGG | C07194 |
| PharmGKB | PA450453 |
| PubChem | 38852 |
| SureChEMBL | SCHEMBL34003 |
| ZINC | ZINC000000020255 |
CONTENTS