Trade Names: | |
Synonyms: | |
Status: | Approved (1962) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | M4R0H12F6M |
InChI Key | CJCSPKMFHVPWAR-JTQLQIEISA-N |
---|---|
Smile | |
InChI |
|
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 |
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
|
- | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pre-Eclampsia | 2 | D011225 | ClinicalTrials |
Diabetes Mellitus, Type 1 | 2 | D003922 | ClinicalTrials |
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 |