Compound Detail
CHEMBL441083
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Basic Information
| ChEMBL ID | CHEMBL441083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHFDWKXLJCGQHE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
3.68
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.04 | 6.04 | 910.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 910.0 | nM | 6.04 | Evaluation of inhibitory activity against phospholipase C-gamma1 phosphorylation... | 7658435 |
| Epidermal growth factor receptor | IC50 | = | 912.01 | nM | 6.04 | Inhibition of EGFR | 18271520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658435 | 10.1021/jm00018a008 | Epidermal growth factor receptor | 1 |
| 18271520 | 10.1021/jm070654j | Epidermal growth factor receptor | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine