Compound Detail
CHEMBL2023116
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Basic Information
| ChEMBL ID | CHEMBL2023116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWVDXAWRKPGZLT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.85
ALogP
9
HBA
1
HBD
109.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.32 | 5.32 | 4773.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 50.0 | nM | 7.3 | Inhibition of PDGFRbeta | 22497760 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Flt3 | 22497760 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4773.0 | nM | 5.32 | Inhibition of KDR | 22497760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Platelet-derived growth factor receptor beta | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Vascular endothelial growth factor receptor 2 | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Macrophage colony-stimulating factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine