Compound Detail
CHEMBL126623
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Basic Information
| ChEMBL ID | CHEMBL126623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPUBKZIJROOKPL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.4
MW (Da)
3.67
ALogP
7
HBA
2
HBD
75.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.72 | 8.51 | 1.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.9 | nM | 8.72 | Inhibition of phosphorylation of polyglutamic acid/tyrosine random copolymer by ... | 9397172 |
| Epidermal growth factor receptor | IC50 | = | 1.905 | nM | 8.72 | Inhibition of human recombinant EGFR | 19170633 |
| Epidermal growth factor receptor | IC50 | = | 8.1 | nM | 8.09 | Inhibition of epidermal growth factor receptor (EGFR) autophosphorylation in A43... | 9397172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9397172 | 10.1021/jm970366v | Mus musculus | 6 |
| 9397172 | 10.1021/jm970366v | Epidermal growth factor receptor | 2 |
| 19170633 | 10.1021/jm800829v | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine