Compound Detail
CHEMBL40734
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Basic Information
| ChEMBL ID | CHEMBL40734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBFWQWIFLDQYQQ-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.2
MW (Da)
4.62
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.41 | 8.8017 | 0.4 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.39 | nM | 9.41 | Concentration needed to inhibit the phosphorylation of a 14-residue fragment of ... | 10639288 |
| Epidermal growth factor receptor | IC50 | = | 0.44 | nM | 9.36 | Inhibition of the phosphorylation of a random polyglutamic acid/tyrosine copolym... | 9154973 |
| Epidermal growth factor receptor | IC50 | = | 0.44 | nM | 9.36 | Inhibition of Epidermal growth factor receptor from human A431 carcinoma cell me... | 9154973 |
| Epidermal growth factor receptor | IC50 | = | 0.44 | nM | 9.36 | Inhibition of tyrosine kinase activity of Epidermal growth factor receptor from ... | 8632415 |
| Epidermal growth factor receptor | IC50 | = | 22.0 | nM | 7.66 | Inhibition of autophosphorylation of epidermal growth factor receptor prepared f... | 9154973 |
| Epidermal growth factor receptor | IC50 | = | 21.88 | nM | 7.66 | Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA | 17689836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154973 | 10.1021/jm960789h | Epidermal growth factor receptor | 3 |
| 10639288 | 10.1021/jm9903949 | Epidermal growth factor receptor | 1 |
| 8632415 | 10.1021/jm950692f | Epidermal growth factor receptor | 1 |
| 17689836 | 10.1016/j.ejmech.2007.06.006 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine