Compound Detail
CHEMBL3628797
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Basic Information
| ChEMBL ID | CHEMBL3628797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJTPRNMULDHJJJ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
5.78
ALogP
4
HBA
3
HBD
78.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 5.24 | 5.24 | 5750.0 | 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 | = | 1.0 | nM | 9.0 | Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay | 26526740 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of VEGFR3 (unknown origin) by radiometric protein kinase assay | 26526740 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 91.0 | nM | 7.04 | Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP | 26526740 |
| Platelet-derived growth factor receptor beta | IC50 | = | 850.0 | nM | 6.07 | Inhibition of PDGFR-beta (unknown origin) by radiometric protein kinase assay | 26526740 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 5750.0 | nM | 5.24 | Inhibition of VEGFR1 (unknown origin) by radiometric protein kinase assay | 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