Compound Detail
CHEMBL272902
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Basic Information
| ChEMBL ID | CHEMBL272902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSMXTIVEGNMCKM-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
3.89
ALogP
5
HBA
3
HBD
110.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| UT7 CHEMBL614057 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.06 | 7.06 | 87.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.69 | 6.69 | 205.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 5.0 | nM | 8.3 | Inhibition of c-kit | 18554909 |
| Tyrosine-protein kinase Lck | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Lck by HTRF assay | 18321037 |
| UT7 | IC50 | = | 18.0 | nM | 7.75 | Antiproliferative activity against stem cell factor-stimulated human UT7 cells | 18554909 |
| Mitogen-activated protein kinase 14 | IC50 | = | 87.0 | nM | 7.06 | Inhibition of p38alpha by HTRF assay | 18321037 |
| Mitogen-activated protein kinase 14 | IC50 | = | 87.0 | nM | 7.06 | Inhibition of p38alpha | 18554909 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 205.0 | nM | 6.69 | Inhibition of KDR by HTRF assay | 18321037 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 205.0 | nM | 6.69 | Inhibition of KDR | 18554909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Unchecked | 2 |
| 18321037 | 10.1021/jm7010996 | Tyrosine-protein kinase Lck | 1 |
| 18321037 | 10.1021/jm7010996 | Angiopoietin-1 receptor | 1 |
| 18321037 | 10.1021/jm7010996 | Mitogen-activated protein kinase 14 | 1 |
| 18321037 | 10.1021/jm7010996 | Tyrosine-protein kinase JAK3 | 1 |
| 18321037 | 10.1021/jm7010996 | Vascular endothelial growth factor receptor 2 | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Mitogen-activated protein kinase 14 | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Mast/stem cell growth factor receptor Kit | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | UT7 | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine