Compound Detail
CHEMBL2425737
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Basic Information
| ChEMBL ID | CHEMBL2425737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCAVKAMZQCESHE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
463.3
MW (Da)
5.54
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.72 | 7.6 | 19.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibition of wild type human EGFR tyrosine kinase assessed as Ulight-CAGAGAIETD... | 23988354 |
| Epidermal growth factor receptor | IC50 | = | 21.7 | nM | 7.66 | Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated f... | 23988354 |
| Epidermal growth factor receptor | IC50 | = | 38.4 | nM | 7.42 | Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated f... | 23988354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23988354 | 10.1016/j.bmcl.2013.08.008 | Epidermal growth factor receptor | 7 |
| 23988354 | 10.1016/j.bmcl.2013.08.008 | A549 | 3 |
| 23988354 | 10.1016/j.bmcl.2013.08.008 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine