Table 1 Binding affinities as well as Lipinski's rule of five of top-10 HDAC6 inhibitors.
Drug name | Score | MW | HBD | HBA | RB | Rings | LogP |
|---|---|---|---|---|---|---|---|
Bexarotene | − 10 | 348.4779 | 1 | 2 | 4 | 3 | 7.6 |
Capmatinib | − 9.5 | 412.428 | 1 | 5 | 5 | 5 | 2.9 |
Belinostat | − 9.4 | 318.35 | 3 | 4 | 7 | 2 | 1.6 |
Cyproheptadine | − 9.3 | 287.3981 | 0 | 0 | 0 | 4 | 4.2 |
Oxyphenisatin acetate | − 9.2 | 401.418 | 1 | 3 | 6 | 4 | 3.4 |
Acrivastine | − 9.2 | 348.4382 | 1 | 3 | 5 | 3 | 3.1 |
Ketotifen | − 9.1 | 309.425 | 0 | 1 | 0 | 4 | 3.2 |
Phenolphthalein | − 9.1 | 318.3228 | 2 | 3 | 4 | 4 | 3.8 |
Panobinostat | − 8.9 | 349.434 | 3 | 2 | 9 | 3 | 2.9 |
Bisoxatin | − 8.9 | 333.343 | 3 | 3 | 4 | 4 | 3.3 |
Reference inhibitor | − 8.1 | 302.37 | 4 | 2 | 6 | 1 | 2.7 |
