Compound Detail
CHEMBL431996
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Basic Information
| ChEMBL ID | CHEMBL431996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEEGIHLRCOYVPM-GDNBJRDFSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
3.10
ALogP
3
HBA
4
HBD
119.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 5.35 | 5.35 | 4490.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.25 | 4.25 | 56500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Evaluated for inhibitory activity towards tyrosine kinase Vascular endothelial g... | 10893303 |
| Platelet-derived growth factor receptor beta | IC50 | = | 20.0 | nM | 7.7 | Evaluated for inhibitory activity towards tyrosine kinase PDGF-Rbeta | 10893303 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 60.0 | nM | 7.22 | Evaluated for inhibitory activity towards p60 c-Src tyrosine kinase | 10893303 |
| Fibroblast growth factor receptor 1 | IC50 | = | 220.0 | nM | 6.66 | Evaluated for inhibitory activity towards Fibroblast growth factor receptor 1 | 10893303 |
| HUVEC | IC50 | = | 4490.0 | nM | 5.35 | Evaluated for the inhibition of cell proliferation induced by VEGF in HUVEC or N... | 10893303 |
| Epidermal growth factor receptor | IC50 | = | 56500.0 | nM | 4.25 | Evaluated for inhibitory activity towards tyrosine kinase Epidermal growth facto... | 10893303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893303 | 10.1021/jm9906116 | HUVEC | 4 |
| 10893303 | 10.1021/jm9906116 | Vascular endothelial growth factor receptor 2 | 1 |
| 10893303 | 10.1021/jm9906116 | Fibroblast growth factor receptor 1 | 1 |
| 10893303 | 10.1021/jm9906116 | Platelet-derived growth factor receptor beta | 1 |
| 10893303 | 10.1021/jm9906116 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 10893303 | 10.1021/jm9906116 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine