| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 30 | Yes |
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CAS Numbers: 317318-70-0 , [317318-70-0]
2-(2-Methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)thio)phenoxy)acetic acid
2-(2-Methyl-4-(((5-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-4-yl)methyl)thio)phenoxy)acetic acid
2-(4-((2-(4-(Trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylthio)-2-methylphenoxy)acetic acid
2-(4-((2-(4-(Trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylthio)-2-methylphenoxy)aceticacid
2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-methylthiazol-4-yl)methylthio)-2-methylphenoxy)acetic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.85 | 1.99 | -48.81 | 0 | 4 | -1 | 62 | 452.499 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARA-1-E | Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 990 | 0.28 | Binding ≤ 10μM |
| PPARD-2-E | Peroxisome Proliferator-activated Receptor Delta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8 | 0.38 | Binding ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| PPARA-1-E | Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 990 | 0.28 | Functional ≤ 10μM |
| PPARD-1-E | Peroxisome Proliferator-activated Receptor Delta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 85 | 0.33 | Functional ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.28 | Functional ≤ 10μM |
| Z81135-4-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #4 Of 4), Other | Other | 6 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 1000 | 0.28 | Binding ≤ 1μM |
| PPARD_HUMAN | Q03181 | Peroxisome Proliferator-activated Receptor Delta, Human | 1 | 0.42 | Binding ≤ 1μM |
| PPARD_MOUSE | P35396 | Peroxisome Proliferator-activated Receptor Delta, Mouse | 20 | 0.36 | Binding ≤ 1μM |
| PPARG_MOUSE | P37238 | Peroxisome Proliferator-activated Receptor Gamma, Mouse | 1000 | 0.28 | Binding ≤ 1μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 850 | 0.28 | Binding ≤ 1μM |
| PPARA_MOUSE | P23204 | Peroxisome Proliferator-activated Receptor Alpha, Mouse | 2500 | 0.26 | Binding ≤ 10μM |
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 1000 | 0.28 | Binding ≤ 10μM |
| PPARD_MOUSE | P35396 | Peroxisome Proliferator-activated Receptor Delta, Mouse | 20 | 0.36 | Binding ≤ 10μM |
| PPARD_HUMAN | Q03181 | Peroxisome Proliferator-activated Receptor Delta, Human | 1 | 0.42 | Binding ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 4100 | 0.25 | Binding ≤ 10μM |
| PPARG_MOUSE | P37238 | Peroxisome Proliferator-activated Receptor Gamma, Mouse | 1000 | 0.28 | Binding ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 6 | 0.38 | Functional ≤ 10μM |
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 10000 | 0.23 | Functional ≤ 10μM |
| PPARD_HUMAN | Q03181 | Peroxisome Proliferator-activated Receptor Delta, Human | 1 | 0.42 | Functional ≤ 10μM |
| PPARD_MOUSE | P35396 | Peroxisome Proliferator-activated Receptor Delta, Mouse | 54 | 0.34 | Functional ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 10000 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Circadian Clock | |
| Import of palmitoyl-CoA into the mitochondrial matrix | |
| Nuclear Receptor transcription pathway | |
| PPARA activates gene expression | |
| Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp | |
| Regulation of pyruvate dehydrogenase (PDH) complex | |
| REV-ERBA represses gene expression | |
| RORA activates circadian gene expression | |
| Transcriptional activation of mitochondrial biogenesis | |
| Transcriptional regulation of white adipocyte differentiation | |
| YAP1- and WWTR1 (TAZ)-stimulated gene expression |
No pre-computed analogs available. Try a structural similarity search.