Compound Detail
CHEMBL190094
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Basic Information
| ChEMBL ID | CHEMBL190094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDYCDXFDVOBDOO-ONEGZZNKSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
4.88
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.96 | 8.415 | 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 | = | 0.11 | nM | 9.96 | Inhibition of EGF Receptor autophosphorylation in A431 cell lysate | 16078851 |
| Epidermal growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of HER1 kinase in intact DHER14 cells | 16078851 |
| Epidermal growth factor receptor | IC50 | = | 10.0 | nM | 8.0 | Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 4-10... | 16078851 |
| Epidermal growth factor receptor | IC50 | = | 50.0 | nM | 7.3 | Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 10-5... | 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