| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 28 | Yes |
Popular Name: GSK0660 GSK0660
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1014691-61-2 , [1014691-61-2]
2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester
3-([(2-METHOXY-4-(PHENYLAMINO)PHENYL)AMINO]SULFONYL)-2-THIOPHENECARBOXYLIC ACID METHYL ESTER
Methyl 3-(n-(2-methoxy-4-(phenylamino)phenyl)sulfamoyl)thiophene-2-carboxylate
| 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) | 4.34 | 6.4 | -14.68 | 2 | 7 | 0 | 94 | 418.496 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 6.38 | -61.62 | 1 | 7 | -1 | 96 | 417.488 | 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 | 10000 | 0.25 | Binding ≤ 10μM |
| PPARD-2-E | Peroxisome Proliferator-activated Receptor Delta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 316 | 0.33 | Binding ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARD_HUMAN | Q03181 | Peroxisome Proliferator-activated Receptor Delta, Human | 158.489319 | 0.34 | Binding ≤ 1μM |
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 10000 | 0.25 | Binding ≤ 10μM |
| PPARD_HUMAN | Q03181 | Peroxisome Proliferator-activated Receptor Delta, Human | 158.489319 | 0.34 | Binding ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 10000 | 0.25 | Binding ≤ 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.