Structure

InChI Key AUAGTGKMTMVIKN-UHFFFAOYSA-M
Smile CC(C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1.[Na+]
InChI
InChI=1S/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16FNaO4
Molecular Weight 302.28
AlogP 3.68
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed PubMed PubMed PubMed PubMed

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
17.11
Immune system disorders
12.3
Skin and subcutaneous tissue disorders
11.23
Cardiac disorders
8.56
General disorders and administration site conditions
8.56
Nervous system disorders
7.49
Vascular disorders
6.95
Eye disorders
6.42
Respiratory, thoracic and mediastinal disorders
5.35
Investigations
3.21
Pregnancy, puerperium and perinatal conditions
3.21
Gastrointestinal disorders
2.67
Congenital, familial and genetic disorders
2.14

Cross References

Resources Reference
ChEMBL CHEMBL3989754
FDA SRS Z5B97MU9K4
PubChem 23706216
SureChEMBL SCHEMBL3666793