Compound Detail
CHEMBL275762
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Basic Information
| ChEMBL ID | CHEMBL275762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBXDUSMRNQVJRO-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.6
MW (Da)
5.00
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 10.15 | 8.2925 | 0.1 | 4 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.07 | nM | 10.15 | Inhibition of EGF Receptor autophosphorylation in A431 cell lysate | 16078851 |
| Epidermal growth factor receptor | IC50 | = | 15.0 | nM | 7.82 | Inhibition of HER1 kinase in intact DHER14 cells; Range = 5-15 nM | 16078851 |
| Epidermal growth factor receptor | IC50 | = | 25.0 | nM | 7.6 | Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 5-25... | 16078851 |
| Epidermal growth factor receptor | IC50 | = | 25.0 | nM | 7.6 | Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 25-5... | 16078851 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of HER2 kinase in intact CSH12 cells; Range = 25-50 nM | 16078851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078851 | 10.1021/jm0580196 | Epidermal growth factor receptor | 4 |
| 16078851 | 10.1021/jm0580196 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 16078851 | 10.1021/jm0580196 | Platelet-derived growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine