Compound Detail
CHEMBL231526
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COc1cc(OC)cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CCC(=O)O)c2C)c1
Basic Information
| ChEMBL ID | CHEMBL231526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIZSHSPAAJIYOD-XKZIYDEJSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
4.83
ALogP
4
HBA
3
HBD
100.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.4 | 5.8067 | 400.0 | 3 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.74 | 4.74 | 18200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human FGFR1 kinase expressed in insect cell by HTRF detection meth... | 17618113 |
| Fibroblast growth factor receptor 1 | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human FGFR1 expressed in insect cells by HTRF method | 19110422 |
| Platelet-derived growth factor receptor beta | IC50 | = | 780.0 | nM | 6.11 | Inhibition of PDGFRbeta | 19110422 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 930.0 | nM | 6.03 | Inhibition of VEGFR2 | 19110422 |
| Fibroblast growth factor receptor 1 | IC50 | = | 18200.0 | nM | 4.74 | Inhibition of rhFGF2-induced cellular proliferation of HUVEC | 17618113 |
| HUVEC | IC50 | = | 18200.0 | nM | 4.74 | Inhibition of rhFGF2-induced HUVEC proliferation | 19110422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17618113 | 10.1016/j.bmcl.2007.06.058 | Fibroblast growth factor receptor 1 | 5 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | Epidermal growth factor receptor | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | Platelet-derived growth factor receptor beta | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | Vascular endothelial growth factor receptor 2 | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | Fibroblast growth factor receptor 1 | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine