oxaprozin   Click here for help

GtoPdb Ligand ID: 7252

Synonyms: Daypro® | WY-21743
Approved drug Immunopharmacology Ligand
oxaprozin is an approved drug (FDA (1992))
Compound class: Synthetic organic
Comment: Oxaprozin is a nonsteroidal anti-inflammatory drug (NSAID).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 63.33
Molecular weight 293.11
XLogP 3.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1
Isomeric SMILES OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1
InChI InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
InChI Key OFPXSFXSNFPTHF-UHFFFAOYSA-N
References
1. Kawai S, Nishida S, Kato M, Furumaya Y, Okamoto R, Koshino T, Mizushima Y. (1998)
Comparison of cyclooxygenase-1 and -2 inhibitory activities of various nonsteroidal anti-inflammatory drugs using human platelets and synovial cells.
Eur J Pharmacol, 347 (1): 87-94. [PMID:9650852]
2. Klingler FM, Wolf M, Wittmann S, Gribbon P, Proschak E. (2016)
Bacterial Expression and HTS Assessment of Soluble Epoxide Hydrolase Phosphatase.
J Biomol Screen, 21 (7): 689-94. [PMID:27009944]