Compound Detail
CHEMBL242541
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Basic Information
| ChEMBL ID | CHEMBL242541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJAGRTPTIMMQPY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
288.7
MW (Da)
3.75
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 29.0 | nM | 7.54 | Inhibition of EGFR after 50 mins by HTRF assay | 22309911 |
| A-431 | IC50 | = | 25000.0 | nM | 4.6 | Growth inhibition of human A431 cells by MTT assay | 17449254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22309911 | 10.1016/j.ejmech.2012.01.021 | Epidermal growth factor receptor | 2 |
| 17449254 | 10.1016/j.bmc.2007.04.008 | A-431 | 1 |
| 17449254 | 10.1016/j.bmc.2007.04.008 | Epidermal growth factor receptor | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine