Compound Detail
CHEMBL4530987
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Basic Information
| ChEMBL ID | CHEMBL4530987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZLAJGOCDISSIJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
5.50
ALogP
7
HBA
1
HBD
86.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 24.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western ... | 30472599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30472599 | 10.1016/j.ejmech.2018.11.029 | Epidermal growth factor receptor | 3 |
| 30472599 | 10.1016/j.ejmech.2018.11.029 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine