| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 29 | Yes |
Popular Name: (2S)-2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-pyridyl]propanoic (2S)-2-methoxy-2-methyl-3-[5-[2-…
| 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) | 3.31 | 8.29 | -52.07 | 0 | 7 | -1 | 98 | 395.435 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 9.31 | -66.21 | 2 | 7 | 1 | 100 | 397.451 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 8.29 | -42.71 | 1 | 7 | 0 | 99 | 396.443 | 9 | ↓ |
| 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 | 4800 | 0.26 | Binding ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1600 | 0.28 | Binding ≤ 10μM |
| PPARA-1-E | Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 882 | 0.29 | Functional ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 335 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 4800 | 0.26 | Binding ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 1600 | 0.28 | Binding ≤ 10μM |
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 882 | 0.29 | Functional ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 335 | 0.31 | 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 |
