Compound Detail
CHEMBL398894
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Basic Information
| ChEMBL ID | CHEMBL398894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVSWEQSTPCJTSJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
2.49
ALogP
7
HBA
4
HBD
138.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase LCK CHEMBL2480 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase LCK | IC50 | = | 33.0 | nM | 7.48 | Inhibition of murine Lck by TR-FRET assay | 17600705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 17600705 | 10.1016/j.bmcl.2007.04.029 | Proto-oncogene tyrosine-protein kinase LCK | 1 |
Data from ChEMBL 36 via Core Engine