Compound Detail
CHEMBL400388
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Basic Information
| ChEMBL ID | CHEMBL400388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEAKQZWSKOMZSQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
3.20
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase LCK CHEMBL2480 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase LCK | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of murine Lck by TR-FRET assay | 17600705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17600705 | 10.1016/j.bmcl.2007.04.029 | Proto-oncogene tyrosine-protein kinase LCK | 1 |
Data from ChEMBL 36 via Core Engine