Trade Names: | |
Synonyms: | |
Status: | Approved (1957) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | S747T1ERAJ |
InChI Key | XRCFXMGQEVUZFC-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H12O3 |
Molecular Weight | 252.27 |
AlogP | 2.86 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 43.37 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 19.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 9100 | - | - | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 0-1 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 75 |
Resources | Reference |
---|---|
CAS NUMBER | 117-37-3 |
ChEBI | 133809 |
ChEMBL | CHEMBL712 |
DrugBank | DB01125 |
DrugCentral | 222 |
EPA CompTox | DTXSID3022611 |
FDA SRS | S747T1ERAJ |
Human Metabolome Database | HMDB0015257 |
Guide to Pharmacology | 6960 |
KEGG | D07457 |
PharmGKB | PA164746467 |
PubChem | 2197 |
SureChEMBL | SCHEMBL49379 |
ZINC | ZINC000100015486 |