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)
|
3.77 |
9.41 |
-11.48 |
3 |
3 |
0 |
50 |
281.384 |
5 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
EGFR-2-E |
Epidermal Growth Factor Receptor ErbB1 (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
2380 |
0.39 |
Binding ≤ 10μM |
|
Z81020-4-O |
HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other |
Other |
1460 |
0.41 |
Functional ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
EGFR_HUMAN |
P00533
|
Epidermal Growth Factor Receptor ErbB1, Human |
2380 |
0.39 |
Binding ≤ 10μM |
|
Z81020 |
Z81020
|
HepG2 (Hepatoblastoma Cells) |
1460 |
0.41 |
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.
