Physical Representations
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)
|
4.22 |
11.12 |
-51.95 |
0 |
3 |
-1 |
49 |
291.326 |
5 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PPARA-1-E |
Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1400 |
0.37 |
Binding ≤ 10μM
|
PPARG-1-E |
Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1500 |
0.37 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
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 |
|
No pre-computed analogs available. Try a structural similarity search.