Compound Detail
CHEMBL5440872
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Basic Information
| ChEMBL ID | CHEMBL5440872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGLZMKQGBSVVAE-AATRIKPKSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.9
MW (Da)
5.12
ALogP
7
HBA
1
HBD
76.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL3608 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| A-431 CHEMBL614069 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.3 | 5.3 | 5011.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 7.943 | nM | 8.1 | Inhibition of C-terminal his6-tagged mouse EGFR by TR-FRET assay | 37647129 |
| A-431 | IC50 | = | 630.96 | nM | 6.2 | Antiproliferative activity against human A-431 cells assessed as cell growth inh... | 37647129 |
| Epidermal growth factor receptor | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of EGFR in human A-431 cells incubated for 2.5 hrs by HTRF analysis | 37647129 |
| Epidermal growth factor receptor | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of EGFR phosphorylation in human A-431 cells incubated for 4 hr by We... | 37647129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37647129 | 10.1021/acs.jmedchem.3c00845 | Epidermal growth factor receptor | 4 |
| 37647129 | 10.1021/acs.jmedchem.3c00845 | A-431 | 2 |
Data from ChEMBL 36 via Core Engine