Compound Detail
CHEMBL255533
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Basic Information
| ChEMBL ID | CHEMBL255533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWDUWTRHFYJSRS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
477.4
MW (Da)
4.50
ALogP
6
HBA
3
HBD
105.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.59 | 6.59 | 254.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 7.0 | nM | 8.15 | Inhibition of Lck by HTRF assay | 18083554 |
| Mitogen-activated protein kinase 14 | IC50 | = | 254.0 | nM | 6.59 | Inhibition of p38alpha | 18083554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18083554 | 10.1016/j.bmcl.2007.11.123 | Tyrosine-protein kinase Lck | 1 |
| 18083554 | 10.1016/j.bmcl.2007.11.123 | Vascular endothelial growth factor receptor 2 | 1 |
| 18083554 | 10.1016/j.bmcl.2007.11.123 | Mitogen-activated protein kinase 14 | 1 |
| 18083554 | 10.1016/j.bmcl.2007.11.123 | Tyrosine-protein kinase JAK3 | 1 |
| 18083554 | 10.1016/j.bmcl.2007.11.123 | Angiopoietin-1 receptor | 1 |
| 18083554 | 10.1016/j.bmcl.2007.11.123 | T-cell | 1 |
Data from ChEMBL 36 via Core Engine