| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 31 | Yes |
Popular Name: 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid 2-({[3-(3,4-dihydroisoquinolin-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) | 3.55 | 9.55 | -52.03 | 1 | 7 | -1 | 107 | 435.481 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 6.91e-03 g/l | DrugBank-experimental |
| 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 | 0.23 | Binding ≤ 10μM |
| PPARD-2-E | Peroxisome Proliferator-activated Receptor Delta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 126 | 0.31 | Binding ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7943 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARD_HUMAN | Q03181 | Peroxisome Proliferator-activated Receptor Delta, Human | 125.892541 | 0.31 | Binding ≤ 1μM |
| PPARA_HUMAN | Q07869 | Peroxisome Proliferator-activated Receptor Alpha, Human | 10000 | 0.23 | Binding ≤ 10μM |
| PPARD_HUMAN | Q03181 | Peroxisome Proliferator-activated Receptor Delta, Human | 125.892541 | 0.31 | Binding ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 7943.28235 | 0.23 | 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.
