Compound Detail
CHEMBL4559217
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Basic Information
| ChEMBL ID | CHEMBL4559217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USENYTRSBHMZMA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
571.1
MW (Da)
6.88
ALogP
10
HBA
1
HBD
95.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.71 | 6.71 | 197.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.5 | 5.5 | 3200.0 | 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 | = | 197.0 | nM | 6.71 | Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western ... | 30472599 |
| NCI-H1975 | IC50 | = | 3200.0 | nM | 5.5 | Growth inhibition of human NCI-H1975 cells after 72 hrs by MTT assay | 30472599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30472599 | 10.1016/j.ejmech.2018.11.029 | Epidermal growth factor receptor | 5 |
| 30472599 | 10.1016/j.ejmech.2018.11.029 | No relevant target | 2 |
| 30472599 | 10.1016/j.ejmech.2018.11.029 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine