Compound Detail
CHEMBL189675
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Basic Information
| ChEMBL ID | CHEMBL189675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCBCZRZYPOPLAQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
4.50
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.17 | 7.115 | 6.7 | 2 |
| T-cell CHEMBL614309 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.7 | nM | 8.17 | In vitro inhibitory activity against recombinant p56 lck tyrosine kinase express... | 15546730 |
| Tyrosine-protein kinase Lck | IC50 | = | 6.7 | nM | 8.17 | Inhibition of human Lck in presence of ATP | 17154512 |
| Unchecked | IC50 | = | 870.0 | nM | 6.06 | In vivo inhibitory activity against proliferation of normal human peripheral blo... | 15546730 |
| T-cell | IC50 | = | 870.0 | nM | 6.06 | Inhibition of anti CD3/anti CD28-induced T cell proliferation | 17154512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546730 | 10.1016/j.bmcl.2004.09.093 | Unchecked | 2 |
| 17154512 | 10.1021/jm060727j | T-cell | 1 |
| 17154512 | 10.1021/jm060727j | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine