Compound Detail
CHEMBL195398
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CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(CS(C)(=O)=O)o4)c(C(C)C)c23)c(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL195398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLKAJXMYXBXIGX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
521.5
MW (Da)
2.76
ALogP
11
HBA
2
HBD
153.6
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor CHEMBL2095227 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor | IC50 | = | 2.1 | nM | 8.68 | Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio... | 15943473 |
| Fibroblast growth factor receptor | IC50 | = | 4.6 | nM | 8.34 | Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation | 15943473 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human vascular endothelial growth factor receptor 2 kinase activit... | 15943473 |
| Fibroblast growth factor receptor 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human fibroblast growth factor receptor 1 | 15943473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943473 | 10.1021/jm0501275 | ADMET | 2 |
| 15943473 | 10.1021/jm0501275 | Mus musculus | 2 |
| 15943473 | 10.1021/jm0501275 | Vascular endothelial growth factor receptor 2 | 1 |
| 15943473 | 10.1021/jm0501275 | Fibroblast growth factor receptor 1 | 1 |
| 15943473 | 10.1021/jm0501275 | Vascular endothelial growth factor receptor | 1 |
| 15943473 | 10.1021/jm0501275 | Fibroblast growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine