| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2009 | 28 | No |
Popular Name: 2-[[4-(2-tetralin-6-yloxyethoxy)phenyl]methyl]propanedioic 2-[[4-(2-tetralin-6-yloxyethoxy)…
| 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) | 3.90 | 11.22 | -124.45 | 0 | 6 | -2 | 99 | 382.412 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.90 | 10.05 | -49.12 | 1 | 6 | -1 | 96 | 383.42 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARD-1-E | Peroxisome Proliferator-activated Receptor Delta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4680 | 0.27 | Binding ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2110 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARD_HUMAN | Q03181 | Peroxisome Proliferator-activated Receptor Delta, Human | 4680 | 0.27 | Binding ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 2110 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Import of palmitoyl-CoA into the mitochondrial matrix | |
| Nuclear Receptor transcription pathway | |
| PPARA activates gene expression | |
| Regulation of pyruvate dehydrogenase (PDH) complex | |
| Transcriptional regulation of white adipocyte differentiation |
