OSDDMalaria:Arylpyrazole Series: Difference between revisions
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Matthew Todd (talk | contribs) (→Aryl Pyrazole Sub-series: added first pubchem id to one of the tcmdc compounds) |
Matthew Todd (talk | contribs) (→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 | ||
Other compounds of interest from PubChem:<br> | |||
* [http://www.ncbi.nlm.nih.gov/pccompound?term=11609708 CID11609708] | |||
* [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 20:35, 23 March 2012
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:
- TCMDC-131674, CID44522996: pXC50 3D7 147 nM ACD LogP 4.55
- TCMDC-123909: pXC50 3D7 234 nM ACD LogP 3.18
- TCMDC-124020: pXC50 3D7 253 nM ACD LogP 3.03
- TCMDC-124032: pXC50 3D7 258 nM ACD LogP 4.06
Other compounds of interest from PubChem:
- CID11609708
- CID3568222 - been assayed for antimalarial activity AID504832
Synthesis
The core can be synthesised with apparent ease from ethylacetoacetate, DMF dimethyl acetal and phenylhydrazine.
