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)
|
3.44 |
6.8 |
-8.65 |
3 |
5 |
0 |
74 |
340.402 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.69 |
7.79 |
-37.1 |
4 |
5 |
1 |
75 |
341.41 |
4 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
MK14-1-E |
MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
49 |
0.41 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
activated TAK1 mediates p38 MAPK activation |
|
Activation of PPARGC1A (PGC-1alpha) by phosphorylation |
|
Activation of the AP-1 family of transcription factors |
|
ADP signalling through P2Y purinoceptor 1 |
|
CDO in myogenesis |
|
DSCAM interactions |
|
ERK/MAPK targets |
|
KSRP destabilizes mRNA |
|
NOD1/2 Signaling Pathway |
|
Oxidative Stress Induced Senescence |
|
p38MAPK events |
|
Platelet sensitization by LDL |
|
VEGFA-VEGFR2 Pathway |
|
No pre-computed analogs available. Try a structural similarity search.