Compound Detail
CHEMBL1940112
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Basic Information
| ChEMBL ID | CHEMBL1940112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQDTYPFSLIFJAT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
3.75
ALogP
10
HBA
1
HBD
112.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 20.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PDGFRbeta phosphorylation by cell based assay | 22153662 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of FLT3 phosphorylation by cell based assay | 22153662 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of VEGFR3 phosphorylation by cell based assay | 22153662 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of CSF1R phosphorylation by cell based assay | 22153662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22153662 | 10.1016/j.bmcl.2011.11.019 | Rattus norvegicus | 1 |
| 22153662 | 10.1016/j.bmcl.2011.11.019 | No relevant target | 1 |
| 22153662 | 10.1016/j.bmcl.2011.11.019 | Platelet-derived growth factor receptor beta | 1 |
| 22153662 | 10.1016/j.bmcl.2011.11.019 | Vascular endothelial growth factor receptor 3 | 1 |
| 22153662 | 10.1016/j.bmcl.2011.11.019 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 22153662 | 10.1016/j.bmcl.2011.11.019 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 22153662 | 10.1016/j.bmcl.2011.11.019 | Platelet-derived growth factor receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine