OSDDMalaria:Arylpyrazole Series

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(Aryl Pyrazole Sub-series: added first pubchem id to one of the tcmdc compounds)
(Aryl Pyrazole Sub-series: added two new pubchem hits)
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* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/641812 TCMDC-124020]: pXC50 3D7 253 nM ACD LogP 3.03
* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/641812 TCMDC-124020]: pXC50 3D7 253 nM ACD LogP 3.03
* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/640905 TCMDC-124032]: pXC50 3D7 258 nM ACD LogP 4.06
* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/640905 TCMDC-124032]: pXC50 3D7 258 nM ACD LogP 4.06
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Other compounds of interest from PubChem:<br>
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* [http://www.ncbi.nlm.nih.gov/pccompound?term=11609708 CID11609708]
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* [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3568222&loc=ec_rcs CID3568222] - been assayed for antimalarial activity [http://pubchem.ncbi.nlm.nih.gov/assay/assay.cgi?aid=504832 AID504832]

Revision as of 23:35, 23 March 2012

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Aryl Pyrazole Sub-series

The OSDDMalaria pyrazole series is derived from the OSDDMalaria GSK arylpyrrole set.


ChEMBL-NTD TCAMS data set has 89 hits with aryl-pyrazole core; 18 hits with an 5-alkyl aryl pyrazole core; 14 with activity below 500 nanomolar:


Other compounds of interest from PubChem:


Synthesis

The core can be synthesised with apparent ease from ethylacetoacetate, DMF dimethyl acetal and phenylhydrazine.

Synthesis of pyrazole core
Synthesis of pyrazole core
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