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CNS Library

Preferred format:
Desirable size of the custom library selection:
  • Mg
  • uMol


ChemDiv’s CNS Library contains 26,000 compounds.

A unique collection of small molecule compounds for protein targets relevant for the CNS therapeutic area and neurological related diseases like Parkinson’s disease, Alzheimer’s disease, schizophrenia, drug dependence, etc.

It is patently obvious that CNS activity (and trans-cellular permeability in general) is a complex function of physical/chemical properties of molecules such as size, lipophilicity, hydrogen-bonding potential, charge, and conformation. For any given molecule, one of these factors may dominate others. Drugs with the brain as the site of action should, in general, be able to cross the BBB. Drug delivery to the brain can be enhanced by increasing the lipophilicity of the molecule, by using prodrugs that dissociate after crossing the BBB, or by using passive or active drug targeting that utilizes transport systems at the BBB in the normal or disease states. In general, the transendothelial transport of compounds can depend on binding to constituents of the plasma, ionization state, timedependent plasma concentration, and cerebral flow. It is possible to modify many of these properties with changes in chemical structure. Optimizing the distribution of therapeutic compounds between brain and blood is one of the key issues in the design of novel CNS-active drugs.


1. Eur. J. Med. Chem. 2010(45)2:782-789. 8-Sulfonyl-substituted tetrahydro-1H-pyrido[43-b]indoles as 5-HT6 receptor antagonists. Ivachtchenko AV Mitkin OD Tkachenko SE Okun IM Kysil VM. 2. Bioorg. Med. Chem. Lett. 2010(20)1:78-82. Synthesis and biological activity of 5-styryl and 5-phenethyl-substituted 2345-tetrahydro-1Hpyrido[43-b]indoles. Ivachtchenko AV Frolov EB Mitkin OD Tkachenko SE Okun IM Khvat AV. 3. Bioorg. Med. Chem. Lett. 2005(15)22:4889-4897. 35-Bicyclic aryl piperidines: a novel class of alpha4beta2 neuronal nicotinic receptor partial agonists for smoking cessation. Coe JW Brooks PR Wirtz MC Bashore CG Bianco KE Vetelino MG Arnold EP Lebel LA Fox CB Tingley FD Schulz DW Davis TI Sands SB Mansbach RS Rollema H O'Neill BT. 4. Bioorg. Med. Chem. Lett. 2010(20)16:4749-4752. A novel series of [3.2.1] azabicyclic biaryl ethers as alpha3beta4 and alpha6/4beta4 nicotinic receptor agonists. Lowe JA DeNinno SL Coe JW Zhang L Mente S Hurst RS Mather RJ Ward KM Shrikhande A Rollema H Johnson DE Horner W Gorczyca R Tingley FD Kozak R Majchrzak MJ Tritto T Sadlier J Shaffer CL Ellerbrock B Osgood SM MacDougall MC McDowell LL. 5. J. Med. Chem. 2009(52)13:3855-3868. 5-hydroxyindole-2-carboxylic acid amides: novel histamine-3 receptor inverse agonists for the treatment of obesity. Pierson PD Fettes A Freichel C Gatti-McArthur S Hertel C Huwyler J Mohr P Nakagawa T Nettekoven M Plancher JM Raab S Richter H Roche O Rodríguez Sarmiento RM Schmitt M Schuler F Takahashi T Taylor S Ullmer C Wiegand R. 6. J. Med. Chem. 2008(51)21:6889-6901. Synthesis and evaluation of structurally constrained quinazolinone derivatives as potent and selective histamine H3 receptor inverse agonists. Nagase T Mizutani T Sekino E Ishikawa S Ito S Mitobe Y Miyamoto Y Yoshimoto R Tanaka T Ishihara A Takenaga N Tokita S Sato N. 7. Substituted cycloalcano[e and d] pyrazolo [15-a]pyrimidines/antagonists of serotonin 5-HT6 receptors and methods for production and the use thereof US-8629154-B2 2014 8. Bioorg. Med. Chem. Lett. 2009(19)12:3214-3216. Identification of a novel series of 3-piperidinyl-5-sulfonylindazoles as potent 5-HT6 ligands. Liu KG Lo JR Comery TA Zhang GM Zhang JY Kowal DM Smith DL Di L Kerns EH Schechter LE Robichaud AJ. 9. J. Med. Chem. 2011(54)23:8161-8173. Synthesis and structure-activity relationship (SAR) of (57-disubstituted 3-phenylsulfonyl-pyrazolo[15- a]pyrimidin-2-yl)-methylamines as potent serotonin 5-HT(6) receptor (5-HT(6)R) antagonists. Ivachtchenko AV Golovina ES Kadieva MG Kysil VM Mitkin OD Tkachenko SE Okun IM.
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