If I am looking at the right place, it looks like Bisantrene is in the library - I don't know why they didn't find it, then?
Compound 2:
Molecular weight = 222.6 g/mol (<400 Da)
*Hydrogen bond donor/acceptor count = 2 and 4 (<8)
Compound 3:
Molecular weight = 204.2 g/mol (<400 Da)
*Hydrogen bond donor/acceptor count = 3 and 5 (<8)
Bisantrene:
Molecular weight = 398.5 g/mol (<400 Da)
*Hydrogen bond donor/acceptor count = 4 and 4 (<8)
(*I don't know whether the acceptor or donor count is important, so I have put both.)
From what I can see, compound 2 and 3 have smaller molecular weights and roughly similar hydrogen bond donor/acceptor count. From a laymans understanding, the higher molecular weight may make it more challenging for Bisantrene to cross the BBB, but being 10- and 203-fold more potent at inhibitng FTO might mean that you wouldn't need as much to cross the BBB to achieve the same effect. Despite the increase in molecular size, compound 2 achieved a slightly better average penetration ability, although I suspect that it is statistically insignificant.
Keep in mind I'm not a biochemist and this is from my basic understanding. Maybe @RaceOncology can provide a more nuanced explannation.
Add to My Watchlist
What is My Watchlist?
