Compound Detail
CHEMBL53428
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Basic Information
| ChEMBL ID | CHEMBL53428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKFFXIBNVYSRTJ-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
3.60
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 10.05 | 9.168 | 0.1 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.09 | nM | 10.05 | Inhibition of phosphorylation of polyglutamic acid/tyrosine random copolymer by ... | 9397172 |
| Epidermal growth factor receptor | IC50 | = | 0.08913 | nM | 10.05 | Inhibition of human recombinant EGFR | 19170633 |
| Epidermal growth factor receptor | IC50 | = | 0.091 | nM | 10.04 | Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from... | 8627606 |
| Epidermal growth factor receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibition of epidermal growth factor receptor (EGFR) autophosphorylation in A43... | 9397172 |
| Epidermal growth factor receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human... | 8627606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9397172 | 10.1021/jm970366v | Epidermal growth factor receptor | 2 |
| 8627606 | 10.1021/jm9508651 | Epidermal growth factor receptor | 2 |
| 19170633 | 10.1021/jm800829v | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine