Compound Detail
CHEMBL542733
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Basic Information
| ChEMBL ID | CHEMBL542733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLGIDXDEFGCVLP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191611 |
| Active Moiety | CHEMBL1191611 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.40
ALogP
6
HBA
1
HBD
65.5
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 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 250.0 | nM | 6.6 | Inhibition of Epidermal growth factor receptor autophosphorylation. | - |
| Tyrosine-protein kinase Lck | IC50 | = | 10000.0 | nM | 5.0 | 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 |
| 21185195 | 10.1016/j.bmc.2010.11.057 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine