OSDDMalaria:Arylpyrazole Series
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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: | ||
| - | * [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/638119 TCMDC-131674]: pXC50 3D7 147 nM ACD LogP 4.55 | + | * [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
OSDD Home Malaria Home The Story So Far GSK Arylpyrrole Series GSK Triazolourea Singleton GSK Amino-thienopyrimidine Series Other GSK Series Under Consideration Links
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
Synthesis
The core can be synthesised with apparent ease from ethylacetoacetate, DMF dimethyl acetal and phenylhydrazine.
