Compound Detail
CHEMBL212900
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Basic Information
| ChEMBL ID | CHEMBL212900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COCBLXXASLXQGL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.8
MW (Da)
5.80
ALogP
4
HBA
2
HBD
80.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| T-cell CHEMBL614309 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 0.4 | nM | 9.4 | Inhibition of Lck by HTRF kinase assay | 16970394 |
| T-cell | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human T cell proliferation by mixed lymphocyte reaction | 16970394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970394 | 10.1021/jm0605482 | Tyrosine-protein kinase Lck | 1 |
| 16970394 | 10.1021/jm0605482 | T-cell | 1 |
Data from ChEMBL 36 via Core Engine