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)
|
5.33 |
9.13 |
-13.85 |
3 |
7 |
0 |
92 |
461.831 |
6 |
↓
|
Vendor Notes
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
RAF1-1-E |
Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
76 |
0.31 |
Binding ≤ 10μM
|
|
VGFR2-1-E |
Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
9 |
0.35 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
CREB phosphorylation through the activation of Ras |
|
|
EPHA-mediated growth cone collapse |
|
|
GP1b-IX-V activation signalling |
|
|
Integrin cell surface interactions |
|
|
MEK activation |
|
|
Neurophilin interactions with VEGF and VEGFR |
|
|
RAF activation |
|
|
RAF phosphorylates MEK |
|
|
Rap1 signalling |
|
|
Stimuli-sensing channels |
|
|
VEGF binds to VEGFR leading to receptor dimerization |
|
|
VEGFA-VEGFR2 Pathway |
|
|
VEGFR2 mediated cell proliferation |
|
No pre-computed analogs available. Try a structural similarity search.
