Compound Detail
CHEMBL315753
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Basic Information
| ChEMBL ID | CHEMBL315753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPNOMACTPXEJJY-PTNGSMBKSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.40
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 8.7 | 7.2733 | 2.0 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 2.0 | nM | 8.7 | Evaluated for the inhibition of cell proliferation induced by VEGF in HUVEC or N... | 10893303 |
| HUVEC | IC50 | = | 10.0 | nM | 8.0 | Evaluated for the inhibition of cell proliferation induced by FGF in HUVEC or NI... | 10893303 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 90.0 | nM | 7.05 | Evaluated for inhibitory activity towards tyrosine kinase Vascular endothelial g... | 10893303 |
| Platelet-derived growth factor receptor beta | IC50 | = | 240.0 | nM | 6.62 | Evaluated for inhibitory activity towards tyrosine kinase PDGF-Rbeta | 10893303 |
| Fibroblast growth factor receptor 1 | IC50 | = | 270.0 | nM | 6.57 | Evaluated for inhibitory activity towards Fibroblast growth factor receptor 1 | 10893303 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1890.0 | nM | 5.72 | Evaluated for inhibitory activity towards p60 c-Src tyrosine kinase | 10893303 |
| HUVEC | IC50 | = | 7660.0 | nM | 5.12 | Evaluated for the inhibition of cell proliferation induced by PDGF in HUVEC or N... | 10893303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893303 | 10.1021/jm9906116 | HUVEC | 4 |
| 10893303 | 10.1021/jm9906116 | Vascular endothelial growth factor receptor 2 | 1 |
| 10893303 | 10.1021/jm9906116 | Fibroblast growth factor receptor 1 | 1 |
| 10893303 | 10.1021/jm9906116 | Platelet-derived growth factor receptor beta | 1 |
| 10893303 | 10.1021/jm9906116 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 10893303 | 10.1021/jm9906116 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine