polymath
Bluelight Crew
- Joined
- Nov 4, 2010
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^ It must have been a bit of work drawing all of those and making predictions...
I tried to put a non-amine version of methylphenidate, with a sulfur atom in place of nitrogen, in the Swiss target prediction app as an input (the oxygen version is known to be a likely DAT ligand). Didn't get a very high likelihood of binding to dopamine transporter. But when checking the list of similar structures it identified that with, I saw this crazy biphenyl compound that is known to inhibit both dopamine and serotonin uptake:
probably the strangest stimulant candidate I've seen...
I tried to put a non-amine version of methylphenidate, with a sulfur atom in place of nitrogen, in the Swiss target prediction app as an input (the oxygen version is known to be a likely DAT ligand). Didn't get a very high likelihood of binding to dopamine transporter. But when checking the list of similar structures it identified that with, I saw this crazy biphenyl compound that is known to inhibit both dopamine and serotonin uptake:
Compound: CHEMBL101986
Molecule Type: Small molecule, Molecular Formula: C14H11ClO2, Molecular Weight: 246.69
www.ebi.ac.uk
probably the strangest stimulant candidate I've seen...