Compound Detail
CHEMBL3628796
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Basic Information
| ChEMBL ID | CHEMBL3628796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCLVPTJGTKXMSP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
5.80
ALogP
6
HBA
3
HBD
97.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.11 | 5.11 | 7710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 3.0 | nM | 8.52 | Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay | 26526740 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP | 26526740 |
| Epidermal growth factor receptor | IC50 | = | 7710.0 | nM | 5.11 | Inhibition of human EGFR after 1 hr using [gamma-32P]ATP | 26526740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26526740 | 10.1016/j.bmc.2015.10.035 | Epidermal growth factor receptor | 1 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | Hepatocyte growth factor receptor | 1 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | Vascular endothelial growth factor receptor 2 | 1 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | Vascular endothelial growth factor receptor 1 | 1 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | Vascular endothelial growth factor receptor 3 | 1 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | Platelet-derived growth factor receptor beta | 1 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine