Synonyms: | |
Status: | Approved (1989) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | M01AB15 |
UNII: | YZI5105V0L |
InChI Key | OZWKMVRBQXNZKK-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C15H13NO3 |
Molecular Weight | 255.27 |
AlogP | 2.29 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 59.3 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 19.0 |
Primary Target | |
---|---|
COX-1 | |
COX-2 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Auxiliary transport protein
Fatty acid binding protein family
|
- | - | - | 11600 | - | |
Enzyme
Hydrolase
|
- | 2000 | - | - | - | |
Enzyme
Isomerase
|
- | 230 | - | - | - | |
Enzyme
Kinase
Protein Kinase
STE protein kinase group
STE protein kinase STE20 family
STE protein kinase PAKA subfamily
|
- | 36000 | - | - | - | |
Enzyme
Oxidoreductase
|
- | 140 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pain | 3 | D010146 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Cataract | 3 | D002386 | ClinicalTrials |
Migraine Disorders | 3 | D008881 | ClinicalTrials |
Headache | 3 | D006261 | ClinicalTrials |
Inflammation | 3 | D007249 | ClinicalTrials |
Wounds and Injuries | 3 | D014947 | ClinicalTrials |
Kidney Calculi | 3 | D007669 | ClinicalTrials |
Back Pain | 3 | D001416 | ClinicalTrials |
Abdominal Pain | 3 | D015746 | ClinicalTrials |
Deglutition Disorders | 3 | D003680 | ClinicalTrials |
Pre-Eclampsia | 2 | D011225 | ClinicalTrials |
Scoliosis | 2 | D012600 | ClinicalTrials |
Conjunctivitis, Viral | 2 | D003236 | ClinicalTrials |
Pancreatitis | 2 | D010195 | ClinicalTrials |
Miosis | 2 | D015877 | ClinicalTrials |
Heart Diseases | 2 | D006331 | ClinicalTrials |
Retinopathy of Prematurity | 2 | D012178 | ClinicalTrials |
Tonsillitis | 2 | D014069 | ClinicalTrials |
Periodontitis | 2 | D010518 | ClinicalTrials |
Rotator Cuff Injuries | 2 | D000070636 | ClinicalTrials |
Osteoarthritis, Knee | 2 | D020370 | ClinicalTrials |
Hypoxia | 1 | D000860 | ClinicalTrials |
Diabetic Retinopathy | 1 | D003930 | ClinicalTrials |
Ovarian Neoplasms | 0 | D010051 | ClinicalTrials |
Renal Colic | 0 | D056844 | ClinicalTrials |
Peritoneal Neoplasms | 0 | D010534 | ClinicalTrials |
Fallopian Tube Neoplasms | 0 | D005185 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 74103-06-3 |
ChEBI | 76223 |
ChEMBL | CHEMBL469 |
DrugBank | DB00465 |
DrugCentral | 1529 |
EPA CompTox | DTXSID8023189 |
FDA SRS | YZI5105V0L |
Human Metabolome Database | HMDB0014608 |
Guide to Pharmacology | 6661 |
KEGG | C07062 |
PharmGKB | PA450150 |
PubChem | 3826 |
SureChEMBL | SCHEMBL14891 |