Compound Detail
CHEMBL53940
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Basic Information
| ChEMBL ID | CHEMBL53940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUQQZAQCQFIXAH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.81
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.05 | 8.05 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibit of phosphorylation of a tyrosine/glutamic acid copolymer by epidermal gr... | 9513602 |
| Epidermal growth factor receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from... | 8627606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9513602 | 10.1021/jm970641d | Epidermal growth factor receptor | 1 |
| 8627606 | 10.1021/jm9508651 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine