Compound Detail
CHEMBL53426
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Basic Information
| ChEMBL ID | CHEMBL53426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBPPQMUVDDMIQI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.3
MW (Da)
3.30
ALogP
7
HBA
3
HBD
104.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.6 | 9.1633 | 0.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.25 | nM | 9.6 | Inhibition of phosphorylation of phospholipase C gamma1 by Epidermal growth fact... | 9191958 |
| Epidermal growth factor receptor | IC50 | = | 0.2512 | nM | 9.6 | Inhibition of EGFR | 18271520 |
| Epidermal growth factor receptor | IC50 | = | 5.1 | nM | 8.29 | Tested for ability to inhibit autophosphorylation of the Epidermal growth factor... | 9191958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191958 | 10.1021/jm960879m | Epidermal growth factor receptor | 2 |
| 18271520 | 10.1021/jm070654j | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine