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)
|
3.79 |
9.34 |
-10.94 |
1 |
5 |
0 |
54 |
344.216 |
3 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
EGFR-3-E |
Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
21 |
0.51 |
Binding ≤ 10μM
|
|
EGFR-1-E |
Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
21 |
0.51 |
Functional ≤ 10μM
|
|
Z80852-3-O |
A-431 (Epidermoid Carcinoma Cells) (cluster #3 Of 3), Other |
Other |
21 |
0.51 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Constitutive PI3K/AKT Signaling in Cancer |
|
|
EGFR downregulation |
|
|
EGFR interacts with phospholipase C-gamma |
|
|
EGFR Transactivation by Gastrin |
|
|
GAB1 signalosome |
|
|
GRB2 events in EGFR signaling |
|
|
GRB2 events in ERBB2 signaling |
|
|
PI3K events in ERBB2 signaling |
|
|
PIP3 activates AKT signaling |
|
|
PLCG1 events in ERBB2 signaling |
|
|
SHC1 events in EGFR signaling |
|
|
SHC1 events in ERBB2 signaling |
|
|
Signal transduction by L1 |
|
|
Signaling by constitutively active EGFR |
|
|
Signaling by EGFR |
|
|
Signaling by ERBB2 |
|
|
Signaling by ERBB4 |
|
No pre-computed analogs available. Try a structural similarity search.
