| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 36 | Yes |
Popular Name: (2S)-2-hexoxy-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]benzothiophen-7-yl]propanoic (2S)-2-hexoxy-3-[4-[2-(5-methyl-…
| 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) | 7.18 | 15.12 | -54.84 | 0 | 6 | -1 | 85 | 506.644 | 14 | ↓ |
| Lo Low (pH 4.5-6) | 7.18 | 13.15 | -14.8 | 1 | 6 | 0 | 82 | 507.652 | 14 | ↓ |
| 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 | 120 | 0.27 | Binding ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.34 | Binding ≤ 10μM |
| PPARA-1-E | Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 249 | 0.26 | Functional ≤ 10μM |
| PPARG-2-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 120 | 0.27 | Binding ≤ 1μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 2 | 0.34 | Binding ≤ 1μM |
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 120 | 0.27 | Binding ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 2 | 0.34 | Binding ≤ 10μM |
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 249 | 0.26 | Functional ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 4 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Circadian Clock | |
| Nuclear Receptor transcription pathway | |
| PPARA activates gene expression | |
| Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp | |
| 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 |
