Compound Detail
CHEMBL176815
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Basic Information
| ChEMBL ID | CHEMBL176815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHKJMXHLKKNTKJ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.17
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.2 | 7.2 | 63.1 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL | IC50 | = | 50.0 | nM | 7.3 | Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl | 10853665 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 60.0 | nM | 7.22 | Tested for inhibition of protein tyrosine kinase c-Src phosphorylation | 10853665 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 63.1 | nM | 7.2 | Inhibition of c-Src | 18722033 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 63.1 | nM | 7.2 | Inhibition of c-Src kinase (unknown origin) | - |
| Epidermal growth factor receptor | IC50 | = | 800.0 | nM | 6.1 | Tested in vitro for inhibition of EGF-receptor tyrosine kinase | 10853665 |
| Cyclin-dependent kinase 1 | IC50 | = | 33000.0 | nM | 4.48 | Tested in vitro for inhibition of serine/threonine kinase Cdc2 | 10853665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Epidermal growth factor receptor | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Vascular endothelial growth factor receptor 2 | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Tyrosine-protein kinase ABL | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Cyclin-dependent kinase 1 | 1 |
| 18722033 | 10.1016/j.ejmech.2008.07.002 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| - | 10.1007/s00044-012-0308-3 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine