Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | D10AX02 |
UNII: | YUL4LO94HK |
InChI Key | GHMLBKRAJCXXBS-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C6H6O2 |
Molecular Weight | 110.11 |
AlogP | 1.1 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 40.46 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 8.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 7 | |
Enzyme
Lyase
|
- | - | - | 7700-7700 | - | |
Enzyme
Oxidoreductase
|
- | 3600-30800 | 86900 | - | 34 | |
Enzyme
|
- | 3600-30800 | 86900 | 7700-7700 | 34 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 104 |
Resources | Reference |
---|---|
ChEBI | 27810 |
ChEMBL | CHEMBL24147 |
DrugBank | DB11085 |
DrugCentral | 3524 |
EPA CompTox | DTXSID2021238 |
FDA SRS | YUL4LO94HK |
Human Metabolome Database | HMDB0032037 |
KEGG | C01751 |
PDB | RCO |
PubChem | 5054 |
SureChEMBL | SCHEMBL15515 |
ZINC | ZINC000000002028 |