Compound Detail
CHEMBL194498
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Basic Information
| ChEMBL ID | CHEMBL194498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPXQYAXTDCQZHB-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
479.4
MW (Da)
4.15
ALogP
9
HBA
2
HBD
119.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor CHEMBL2095227 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.24 | 6.66 | 57.0 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor | IC50 | = | 17.0 | nM | 7.77 | Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio... | 15943473 |
| Fibroblast growth factor receptor | IC50 | = | 21.0 | nM | 7.68 | Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation | 15943473 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of human vascular endothelial growth factor receptor 2 kinase activit... | 15943473 |
| Fibroblast growth factor receptor 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human fibroblast growth factor receptor 1 | 15943473 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1) | 15943473 |
| Tyrosine-protein kinase Lck | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of human p56 lck tyrosine kinase | 15943473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943473 | 10.1021/jm0501275 | Mus musculus | 3 |
| 15943473 | 10.1021/jm0501275 | Vascular endothelial growth factor receptor 2 | 2 |
| 15943473 | 10.1021/jm0501275 | ADMET | 2 |
| 15943473 | 10.1021/jm0501275 | Tyrosine-protein kinase Lck | 1 |
| 15943473 | 10.1021/jm0501275 | Protein kinase C alpha type | 1 |
| 15943473 | 10.1021/jm0501275 | Cyclin-dependent kinase 2 | 1 |
| 15943473 | 10.1021/jm0501275 | Vascular endothelial growth factor receptor | 1 |
| 15943473 | 10.1021/jm0501275 | Fibroblast growth factor receptor | 1 |
| 15943473 | 10.1021/jm0501275 | Fibroblast growth factor receptor 1 | 1 |
| 15943473 | 10.1021/jm0501275 | Epidermal growth factor receptor | 1 |
| 15943473 | 10.1021/jm0501275 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 15943473 | 10.1021/jm0501275 | Platelet-derived growth factor receptor beta | 1 |
| 15943473 | 10.1021/jm0501275 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine