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I used to be messing round (but once more) with lefetamine, IDK who of you guys noticed my final put up that had numerous swisstargetprediction inquiries with considerably related molecules. And whereas I managed to get some fascinating predictions out of these, I by no means bought one that really appeared to have a worthwile chance of being a treasure like lefetamine, as in a stimulant thats additionally an opioid.
I messed round with some SAR, tried to make connections between morphine, different Opioids (eg fentanyl) and lefetamine and effectively, im pleased with this.
I do know that that is only a goal prediction by way of analogy of different identified actives so it does probably not imply that this molecule really works as a drug, to not point out that it would aswell simply have unknown unwanted effects and no person is ever going to synth it anyway, however its simply the results of some fiddling round that I needed to share anyhow.
Observe how the quantity of comparable molecules identified to be energetic at sure websites nevertheless is sort of excessive for a lot of fascinating targets, it feels just like the carpet bomber of medicine. Def bought some undesirable ones in there too although (hERG eg).
Additionally I used to be shocked by the CB-1.
If anybody is , this is a number of the ideas that went into it:
Lefetamines Nitrogen in all probability takes the position of morphines nitrogen, thats the idea. The OH Group on the left benzene/phenyl is analogous to the 3-Place of Morphine. The N-Phenethyl extension (the one with out the OH) is each analogous to fentanyl and is assumed to succeed in deeper contained in the synaptic claft than N-Methyl would, its assumed to be part of fentanyls efficiency so far as I do know. For the remaining I initially simply deliberate to exchange the phenyl group of the lefetamine thats not analogous to the one with the 3-Pos in morphine (aka the opposite one in lefetamine) with cyclohexane, making it analogous to desomorphine, however – then I made a decision so as to add the additional 2C Bridge and the ethorphine extension. Oh and the 2nd 2C Bridge between the Nitrogen and the bicyclo(2,2,2) Octane can be analogous to a the bridge present in morphine.
So judging by the analogies I utilized, I used to be shocked by the result, however as I already mentioned the outcomes sadly dont imply as a lot as one would possibly suppose. In any other case this molecule may very well be an fascinating foundation for additional additions till one thing extra selective is discovered.
Edit: additionally [this](http://new.swisstargetprediction.ch/consequence.php?job=2055293866&organism=Homo_sapiens) is fascinating, its the identical however with a lengthened chain between our 3pos morphine phenyl and the nitrogen, considerably analogous to tapentadol