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)
|
5.80 |
15.63 |
-105.14 |
2 |
11 |
-2 |
176 |
495.451 |
9 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
RHOA-1-E |
Transforming Protein RhoA (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5180 |
0.20 |
Binding ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
RHOA_HUMAN |
P61586
|
Transforming Protein RhoA, Human |
3280 |
0.21 |
Binding ≤ 10μM |
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Axonal growth inhibition (RHOA activation) |
|
|
Axonal growth stimulation |
|
|
EPHA-mediated growth cone collapse |
|
|
EPHB-mediated forward signaling |
|
|
G alpha (12/13) signalling events |
|
|
G beta:gamma signalling through PI3Kgamma |
|
|
GPVI-mediated activation cascade |
|
|
PCP/CE pathway |
|
|
PI3K/AKT activation |
|
|
Rho GTPase cycle |
|
|
Sema4D induced cell migration and growth-cone collapse |
|
|
Sema4D mediated inhibition of cell attachment and migration |
|
|
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) |
|
|
VEGFA-VEGFR2 Pathway |
|
No pre-computed analogs available. Try a structural similarity search.
