Compound Detail
CHEMBL566373
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Basic Information
| ChEMBL ID | CHEMBL566373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCLNMZHSYXGHAD-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.25
ALogP
6
HBA
1
HBD
79.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Lck | 19674899 |
| Jurkat | IC50 | = | 167.0 | nM | 6.78 | Inhibition of antigen-stimulated IL-2 production in human Jurkat cells expressin... | 19674899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19674899 | 10.1016/j.bmcl.2009.07.102 | Tyrosine-protein kinase Lck | 1 |
| 19674899 | 10.1016/j.bmcl.2009.07.102 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine