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)
|
5.40 |
16.28 |
-50.7 |
2 |
8 |
-1 |
108 |
435.552 |
9 |
↓
|
|
Lo
Low (pH 4.5-6)
|
5.40 |
16.58 |
-46.45 |
3 |
8 |
0 |
109 |
436.56 |
9 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
STAT3-1-E |
Signal Transducer And Activator Of Transcription 3 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
7900 |
0.22 |
Binding ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
STAT3_MOUSE |
P42227
|
Signal Transducer And Activator Of Transcription 3, Mouse |
7900 |
0.22 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Downstream signal transduction |
|
|
Growth hormone receptor signaling |
|
|
Interleukin-6 signaling |
|
|
POU5F1 (OCT4), SOX2, NANOG activate genes related to proliferation |
|
|
Signaling by FGFR1 fusion mutants |
|
|
Signaling by Leptin |
|
|
Signaling by SCF-KIT |
|
|
Signalling to STAT3 |
|
|
Transcriptional regulation of pluripotent stem cells |
|
No pre-computed analogs available. Try a structural similarity search.
