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Drug designs. (MedicinalUser SAR thread)

No chiral centre if it's next to an olefinic bond.

Maybe adding that para -F has been tried? Get the SMILES string and paste it into Pubchem to see.
 
amfobutyric acid (WIN 26,013) is most potent BUT has a wider ED50 than amfonelic acid.

Nalidixic acid & pipermidic acid are also known to be a stimulants.

pubchem.ncbi.nlm.nih.gov

PubChem

PubChem is the world's largest collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers. Find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more.
pubchem.ncbi.nlm.nih.gov pubchem.ncbi.nlm.nih.gov

All these four are also stimulants (DRIs).
 
4DQSAR said:
amfobutyric acid (WIN 26,013) is most potent BUT has a wider ED50 than amfonelic acid.

Nalidixic acid & pipermidic acid are also known to be a stimulants.

pubchem.ncbi.nlm.nih.gov

PubChem

PubChem is the world's largest collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers. Find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more.
pubchem.ncbi.nlm.nih.gov pubchem.ncbi.nlm.nih.gov

All these four are also stimulants (DRIs).
Click to expand...
Can you post about Amfobutyric Acid because I can't seem to find info on it anywhere.
 
Second one of the four.

SMILES OC(=O)C1=CN(CC)c2nc(ccc2C1=O)Oc1ccccc1

WIN-25977. WIN-15978 is amfonelic acid.
 
Last edited:
Did you copy the SMILES string into Pubmed to check if that of indeed any of your sketches have already been synthesized, studied, classified and named?

You don't get to name ligands you cannot synthesize so cannot classify.
 
4DQSAR said:
Did you copy the SMILES string into Pubmed to check if that of indeed any of your sketches have already been synthesized, studied, classified and named?

You don't get to name ligands you cannot synthesize so cannot classify.
Click to expand...
I know your right, but this is more of a Hobbie to me. So, if doesn't work... well... It doesn't work.
 
MedicinalUser247 said:
I call this one Paxil-Modafinil-Hybrid. Antidepressant XZ. https://ibb.co/dsc3GCsr
Click to expand...
I recognize this you are relating the the nocaine-modafinil hybrid SNDRI that had it's own page on wikipedia: JZ-IV-10.

I seem recall that they prepared all 4 stereoisomers and found that only nocaine isomer (3R, 4S) gave the unique property of almost sub nanomolar affinity for all 3 biogenic amine transporters.
 
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