Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | C05AD03 |
UNII: | U3RSY48JW5 |
InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C9H11NO2 |
Molecular Weight | 165.19 |
AlogP | 1.45 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 52.32 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 12.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 0-5 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 101 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Toothache | 4 | D014098 | ClinicalTrials |
Otitis Media | 3 | D010033 | ClinicalTrials |
Eczema | 3 | D004485 | ClinicalTrials |
Asthma | 2 | D001249 | ClinicalTrials |
Pain | 1 | D010146 | ClinicalTrials |
Obesity | 1 | D009765 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 94-09-7 |
ChEBI | 116735 |
ChEMBL | CHEMBL278172 |
DrugBank | DB01086 |
DrugCentral | 323 |
EPA CompTox | DTXSID8021804 |
FDA SRS | U3RSY48JW5 |
Human Metabolome Database | HMDB0004992 |
KEGG | C07527 |
PharmGKB | PA448576 |
PubChem | 2337 |
SureChEMBL | SCHEMBL25100 |
ZINC | ZINC000012358719 |