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)
|
6.16 |
10.74 |
-10.15 |
1 |
3 |
0 |
42 |
426.354 |
4 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MK08-1-E |
Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
1400 |
0.30 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MK08_HUMAN |
P45983
|
C-Jun N-terminal Kinase 1, Human |
1400 |
0.30 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Activation of BIM and translocation to mitochondria |
|
|
Activation of BMF and translocation to mitochondria |
|
|
Activation of the AP-1 family of transcription factors |
|
|
DSCAM interactions |
|
|
FCERI mediated MAPK activation |
|
|
JNK (c-Jun kinases) phosphorylation and activation mediated by activated human |
|
|
NRAGE signals death through JNK |
|
|
NRIF signals cell death from the nucleus |
|
|
Oxidative Stress Induced Senescence |
|
No pre-computed analogs available. Try a structural similarity search.
