Compound Detail
CHEMBL68871
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Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC3CC(C)(C)NC(C)(C)C3)sc2c1
Basic Information
| ChEMBL ID | CHEMBL68871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQHSUHHPMPLNJU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
500.1
MW (Da)
5.94
ALogP
5
HBA
4
HBD
95.2
PSA (Ų)
0.36
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 4.0 | nM | 8.4 | In vitro inhibition of phosphorylation of an exogenous substrate by human p56 Lc... | 12798323 |
| NON-PROTEIN TARGET | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of anti-CD3, anti-CD28 induced PBL T-cell proliferation | 12798323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12798323 | 10.1016/s0960-894x(03)00380-9 | Unchecked | 6 |
| 12798323 | 10.1016/s0960-894x(03)00380-9 | Tyrosine-protein kinase Lck | 1 |
| 12798323 | 10.1016/s0960-894x(03)00380-9 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine