Compound Detail
CHEMBL545541
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Basic Information
| ChEMBL ID | CHEMBL545541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVWPVUQQOSWLGC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL325245 |
| Active Moiety | CHEMBL325245 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.26
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Epidermal growth factor receptor autophosphorylation. | - |
| Tyrosine-protein kinase Lck | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of p56 Lck tyrosine kinase in Jurkat cells where p56lck autophosphory... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00034-6 | Tyrosine-protein kinase Lck | 1 |
| - | 10.1016/S0960-894X(97)00034-6 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine