Table 3 PAINS results of selected compounds along with their structures and IUPAC names
From: Identification of new potent NLRP3 inhibitors by multi-level in-silico approaches
Ligand | PAINS filter | Structure | IUPAC name |
|---|---|---|---|
ZINC12359085 | Passed |
| 5-((phenoxycarbonyl)amino)-1,2,3-thiadiazol-4-yl propionate |
ZINC72288245 | Passed |
| 2-ethoxy-n-(3-(methylsulfonyl)thiophen-2-yl)propanamide |
BA-II-51 | Passed |
| n-(2,5-dichlorophenyl)-2-isonicotinoyl-2-methylhydrazine-1-carbothioamide |
BA-II-45 | Passed |
| n-(2-bromophenyl)-2-nicotinoylhydrazine-1-carbothioamide |
5,280,448 | Passed |
| 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one |
115,089 | Passed |
| 2,3-bis(3-hydroxybenzyl)butane-1,4-diol |
Reference compound | Passed |
| 2-(3-(3,4-dimethoxyphenyl)propanamido)benzoic acid |
