Compound Detail
CHEMBL469882
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Basic Information
| ChEMBL ID | CHEMBL469882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJHUSHHZUDUTHB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.31
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UT7 CHEMBL614057 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.34 | 6.34 | 455.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.56 | 5.56 | 2760.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.42 | 5.42 | 3760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UT7 | IC50 | = | 31.0 | nM | 7.51 | Antiproliferative activity against stem cell factor-stimulated human UT7 cells | 18554909 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 108.0 | nM | 6.97 | Inhibition of c-kit | 18554909 |
| Mitogen-activated protein kinase 14 | IC50 | = | 455.0 | nM | 6.34 | Inhibition of p38alpha | 18554909 |
| Tyrosine-protein kinase Lck | IC50 | = | 2760.0 | nM | 5.56 | Inhibition of Lck | 18554909 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3760.0 | nM | 5.42 | Inhibition of Src | 18554909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Unchecked | 4 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Mast/stem cell growth factor receptor Kit | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Mitogen-activated protein kinase 14 | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Vascular endothelial growth factor receptor 2 | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Tyrosine-protein kinase Lck | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | UT7 | 1 |
Data from ChEMBL 36 via Core Engine