Compound Detail
CHEMBL309598
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Basic Information
| ChEMBL ID | CHEMBL309598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSCANEKTHPFSLU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
1.12
ALogP
6
HBA
4
HBD
128.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Ki 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.0 | 4.935 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Ki | = | 4500.0 | nM | 5.35 | Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... | 2552117 |
| Epidermal growth factor receptor | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of EGFR in human A431 cells | 1479375 |
| Epidermal growth factor receptor | IC50 | = | 13500.0 | nM | 4.87 | Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... | 2552117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2552117 | 10.1021/jm00130a020 | Epidermal growth factor receptor | 2 |
| 1479375 | 10.1021/np50089a001 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine