(##)-2-Fluoro-2-(2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)thio)phenoxy)acetic acid (2a) has been prepared and subjected to biological testing against all three subtypes of the PPARs. This compound exhibited agonist effects with EC(50) values of 560 and 55 nM against PPAR## and PPAR##, respectively, in a luciferase assay. Moreover, compound (##)-2a also exhibited more ..
BioActive Compounds: 4
Description:
Title: Synthesis, molecular modeling studies and biological evaluation of fluorine substituted analogs of GW 501516.
Abstract: (##)-2-Fluoro-2-(2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)thio)phenoxy)acetic acid (2a) has been prepared and subjected to biological testing against all three subtypes of the PPARs. This compound exhibited agonist effects with EC(50) values of 560 and 55 nM against PPAR## and PPAR##, respectively, in a luciferase assay. Moreover, compound (##)-2a also exhibited potent ability to induce oleic acid oxidation in a human myotube cell assay with EC(50)=3.7 nM. Compound (##)-2a can be classified as a dual PPAR##/## agonist with a 10-fold higher potency against the PPAR## receptor than against the PPAR## receptor. Molecular modeling studies revealed that both enantiomers of 2a bind to the PPAR## receptor with similar binding energies.
(PMID: 22051054)
Abstract: (##)-2-Fluoro-2-(2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)thio)phenoxy)acetic acid (2a) has been prepared and subjected to biological testing against all three subtypes of the PPARs. This compound exhibited agonist effects with EC(50) values of 560 and 55 nM against PPAR## and PPAR##, respectively, in a luciferase assay. Moreover, compound (##)-2a also exhibited potent ability to induce oleic acid oxidation in a human myotube cell assay with EC(50)=3.7 nM. Compound (##)-2a can be classified as a dual PPAR##/## agonist with a 10-fold higher potency against the PPAR## receptor than against the PPAR## receptor. Molecular modeling studies revealed that both enantiomers of 2a bind to the PPAR## receptor with similar binding energies.
(PMID: 22051054)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.
Putative Target:
ChEMBL Target ID: 22226
Target Type: UNCHECKED
Pref Name: Unchecked
Confidence: Default value - Target unknown or has yet to be assigned
Relationship Type: Default value - Target has yet to be curated
Putative Target:
ChEMBL Target ID: 22226
Target Type: UNCHECKED
Pref Name: Unchecked
Confidence: Default value - Target unknown or has yet to be assigned
Relationship Type: Default value - Target has yet to be curated
Categorized Comment
ChEMBL Assay Type: Functional
ChEMBL Assay Data Source: Scientific Literature
ChEMBL Assay Data Source: Scientific Literature
Result Definitions
| TID | Name | Description | Histogram | Type | Unit | |
|---|---|---|---|---|---|---|
| Outcome | The BioAssay activity outcome | Outcome | ||||
| 1 | EC50* | EC50 PubChem standard value |  | Float | μM | |
| 2 | EC50 activity comment | EC50 activity comment | String | |||
| 3 | EC50 standard flag | EC50 standard flag | | Integer | ||
| 4 | EC50 qualifier | EC50 qualifier | String | |||
| 5 | EC50 published value | EC50 published value | | Float | nM | |
| 6 | EC50 standard value | EC50 standard value | | Float | nM |
* Activity Concentration.
Data Table (Concise)
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