Compound Detail
CHEMBL86531
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(=O)O)CCCC3)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL86531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYARELCPLIZIEQ-GDNBJRDFSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
2.05
ALogP
4
HBA
4
HBD
142.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.78 | 4.66 | 16500.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.54 | 4.54 | 29100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 200.0 | nM | 6.7 | Evaluated for inhibitory activity towards Fibroblast growth factor receptor 1 | 10893303 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 600.0 | nM | 6.22 | Evaluated for inhibitory activity towards tyrosine kinase Vascular endothelial g... | 10893303 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 680.0 | nM | 6.17 | Evaluated for inhibitory activity towards p60 c-Src tyrosine kinase | 10893303 |
| HUVEC | IC50 | = | 16500.0 | nM | 4.78 | Evaluated for the inhibition of cell proliferation induced by VEGF in HUVEC or N... | 10893303 |
| Epidermal growth factor receptor | IC50 | = | 29100.0 | nM | 4.54 | Evaluated for inhibitory activity towards tyrosine kinase Epidermal growth facto... | 10893303 |
| HUVEC | IC50 | = | 29000.0 | nM | 4.54 | Evaluated for the inhibition of cell proliferation induced by FGF in HUVEC or NI... | 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