(##)-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 ..
Target
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.
Categorized Comment
ChEMBL Assay Type: Binding
ChEMBL Assay Data Source: Scientific Literature
ChEMBL Target ID: 12227
ChEMBL target type: Target is a single protein chain
ChEMBL Assay Data Source: Scientific Literature
ChEMBL Target ID: 12227
ChEMBL target type: Target is a single protein chain
Result Definitions
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| TID | Name | Description | Histogram | Type | Unit | |
|---|---|---|---|---|---|---|
| Outcome | The BioAssay activity outcome | Outcome | ||||
| 1 | EC50* | EC50 PubChem standard value |  | Float | μM | |
| 2 | BEI | Binding Efficiency Index(nM) | | Float | ||
| 3 | SEI | Surface Efficiency Index(nM) | | Float | ||
| 4 | EC50 activity comment | EC50 activity comment | String | |||
| 5 | EC50 standard flag | EC50 standard flag | | Integer | ||
| 6 | EC50 qualifier | EC50 qualifier | String | |||
| 7 | EC50 published value | EC50 published value | | Float | nM | |
| 8 | EC50 standard value | EC50 standard value | | Float | nM | |
| 9 | EC50 binding domains | EC50 binding domains | String |
* Activity Concentration.
Data Table (Concise)
Classification
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