Compound Detail
CHEMBL544833
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL544833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLCQETFQEUVCAA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL100714 |
| Active Moiety | CHEMBL100714 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.41
ALogP
7
HBA
1
HBD
74.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.46 | 6.46 | 350.0 | 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 | = | 350.0 | nM | 6.46 | 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 |
Data from ChEMBL 36 via Core Engine