This activity-aimed set includes low molecular weight drug-like compounds with fragments found in known non-steroidal anti-inflammatory drugs covering variety of targets.
About 20 starting drugs fragments are used to assemble the set of 1950 compounds available in 10mmol or 1mg/1mL concentrations and in dry form.
Fragmental representation is summarized in the table below. Custom sub-sets can be created to narrow or expand the pre-designed selection.
Lattice type | Lattice Type Occurrence | Drug Example |
Aryl acetic acids | 353 | Acemetacin, Felbinac |
Quinolines | 300 | GSK256066, Compound 35 (Kyowa Hakko Kirin), Compound 19 (BMS) |
Amino aryl carboxylic acid | 141 | Etofenamate, Talniflumate |
Aryl carboxylic acid derivatives | 705 | Clidanac, Tinoridine |
Aryl butyric acid derivatives | 24 | Bumadizon, Fenbufen |
Aryl propionic acid derivatives | 158 | Ibuprofen, Suprofen, Oxaprozin |
Pyrazoles | 680 | Difenamizole, Epirizole |
Pyrazolones | 586 | Propyphenazone, Suxibuzone |
Salicylic acid | 71 | Aspirin, Diflunisal,Parsalmide, Olsalazine |
2-hydroxyacetic acid | 3 | Benzydamine |
1,3,5-trihydropyrimidine-2,4,6-trione | 26 | Bucolome |
N-(2-pyridyl)carboxamide | 272 | Difenpiramide |
1,3-oxazole-2-ylamine | 4 | Ditazol |
2-amino-1-phenylethan-1-ol | 28 | Fepradinol |
methanesulfonamide, thiazinecarboxamide | 106 | Nimesulide, Lexipafant |
9-methylenefluorene | 3 | Paranyline |
3,4,5-trihydropyrimidin-2-one | 3 | Proquazone |
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