Trade Names: | |
Synonyms: | |
Status: | Approved (1967) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | M01AG01 |
UNII: | 367589PJ2C |
InChI Key | HYYBABOKPJLUIN-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C15H15NO2 |
Molecular Weight | 241.29 |
AlogP | 3.75 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 49.33 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 18.0 |
Primary Target | |
---|---|
COX-1 | |
COX-2 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | 6120 | - | - | - | |
Enzyme
Oxidoreductase
|
- | 980-2210 | - | 220 | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4B
|
- | - | - | - | 39 | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4D
|
- | - | - | - | 36 | |
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 41 | |
Enzyme
|
- | 980-2210 | - | 220 | 36 | |
Ion channel
Voltage-gated ion channel
Transient receptor potential channel
|
16000-61000 | - | - | - | - | |
Secreted protein
|
- | - | - | - | 93 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 63 | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 57000 | - | - | - | |
Unclassified protein
|
- | 25000 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Hemorrhage | 3 | D006470 | ClinicalTrials |
Pain | 2 | D010146 | ClinicalTrials |
Diabetes Mellitus | 1 | D003920 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 61-68-7 |
ChEBI | 6717 |
ChEMBL | CHEMBL686 |
DrugBank | DB00784 |
DrugCentral | 1663 |
EPA CompTox | DTXSID5023243 |
FDA SRS | 367589PJ2C |
Human Metabolome Database | HMDB0014922 |
Guide to Pharmacology | 2593 |
KEGG | C02168 |
PDB | ID8 |
PharmGKB | PA450347 |
PubChem | 4044 |
SureChEMBL | SCHEMBL3544 |
ZINC | ZINC000000020241 |