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)
|
2.34 |
3.41 |
-39.9 |
1 |
6 |
-1 |
100 |
212.192 |
2 |
↓
|
|
Ref
Reference (pH 7)
|
2.34 |
1.59 |
-36.48 |
1 |
6 |
-1 |
100 |
212.192 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
0.97 |
3.71 |
-31.37 |
1 |
6 |
-1 |
93 |
212.192 |
3 |
↓
|
|
Mid
Mid (pH 6-8)
|
2.34 |
3.1 |
-32.56 |
3 |
6 |
1 |
99 |
214.208 |
2 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
KS6A3-1-E |
Ribosomal Protein S6 Kinase Alpha 3 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
7040 |
0.45 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
KS6A3_HUMAN |
P51812
|
Ribosomal Protein S6 Kinase Alpha 3, Human |
7040 |
0.45 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
CREB phosphorylation |
|
|
CREB phosphorylation through the activation of Ras |
|
|
ERK/MAPK targets |
|
|
Gastrin-CREB signalling pathway via PKC and MAPK |
|
|
Recycling pathway of L1 |
|
|
RSK activation |
|
|
Senescence-Associated Secretory Phenotype (SASP) |
|
No pre-computed analogs available. Try a structural similarity search.
