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)
|
4.05 |
8.97 |
-125.66 |
5 |
6 |
2 |
80 |
439.526 |
10 |
↓
|
|
Mid
Mid (pH 6-8)
|
4.05 |
7.62 |
-44.93 |
4 |
6 |
1 |
76 |
438.518 |
10 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
CARM1-1-E |
Histone-arginine Methyltransferase CARM1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3600 |
0.25 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
CARM1_MOUSE |
Q9WVG6
|
Histone-arginine Methyltransferase CARM1, Mouse |
3600 |
0.25 |
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 |
|
|
PPARA activates gene expression |
|
|
Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp |
|
|
REV-ERBA represses gene expression |
|
|
RMTs methylate histone arginines |
|
|
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.
