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)
|
3.56 |
7.01 |
-13.12 |
1 |
4 |
0 |
55 |
286.718 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
3.57 |
7.31 |
-56.35 |
0 |
4 |
-1 |
57 |
285.71 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
3.57 |
8.13 |
-63.14 |
0 |
4 |
-1 |
57 |
285.71 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
4.23 |
7.07 |
-14.75 |
1 |
4 |
0 |
55 |
286.718 |
3 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| melting_point |
230 |
KeyOrganics |
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MK10-1-E |
C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
6700 |
0.36 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MK10_HUMAN |
P53779
|
C-Jun N-terminal Kinase 3, Human |
6700 |
0.36 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Activation of the AP-1 family of transcription factors |
|
|
FCERI mediated MAPK activation |
|
|
JNK (c-Jun kinases) phosphorylation and activation mediated by activated human |
|
|
Oxidative Stress Induced Senescence |
|
No pre-computed analogs available. Try a structural similarity search.
