Compound Detail
CHEMBL335400
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Basic Information
| ChEMBL ID | CHEMBL335400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKLSIDTUVXSHJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
3.47
ALogP
8
HBA
0
HBD
81.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 5000.0 | nM | 5.3 | 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