Compound Detail
CHEMBL3109343
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Basic Information
| ChEMBL ID | CHEMBL3109343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUJDQQBZGPBOKT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
4.05
ALogP
7
HBA
1
HBD
69.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incub... | 24900776 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of KDR (unknown origin) | 24900776 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 88.0 | nM | 7.06 | Inhibition of cFMS (unknown origin) | 24900776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900776 | 10.1021/ml4003953 | Liver microsome | 1 |
| 24900776 | 10.1021/ml4003953 | ADMET | 1 |
| 24900776 | 10.1021/ml4003953 | Unchecked | 1 |
| 24900776 | 10.1021/ml4003953 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 24900776 | 10.1021/ml4003953 | Vascular endothelial growth factor receptor 2 | 1 |
| 24900776 | 10.1021/ml4003953 | Platelet-derived growth factor receptor beta | 1 |
Data from ChEMBL 36 via Core Engine