Compound Detail
CHEMBL131661
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Basic Information
| ChEMBL ID | CHEMBL131661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMFDWSKWECMQEX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
4.47
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.44 | 6.44 | 360.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 360.0 | nM | 6.44 | Inhibitory activity human Lck(hLck) kinase | 14592495 |
| Tyrosine-protein kinase Lck | IC50 | = | 360.0 | nM | 6.44 | Inhibition of human Lck in presence of ATP | 17154512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14592495 | 10.1016/j.bmcl.2003.08.054 | Tyrosine-protein kinase Lck | 1 |
| 17154512 | 10.1021/jm060727j | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine