OSDDMalaria:Arylpyrazole Series

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(Synthesis)
(Aryl Pyrazole Sub-series: added first pubchem id to one of the tcmdc compounds)
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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:
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:
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* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/638119 TCMDC-131674]: pXC50 3D7 147 nM ACD LogP 4.55
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* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/638119 TCMDC-131674], [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44522996&loc=ec_rcs CID44522996]: pXC50 3D7 147 nM ACD LogP 4.55
* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/636460 TCMDC-123909]: pXC50 3D7 234 nM ACD LogP 3.18
* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/636460 TCMDC-123909]: pXC50 3D7 234 nM ACD LogP 3.18
* [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

Revision as of 23:26, 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:


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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