Compound Detail
CHEMBL118440
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Basic Information
| ChEMBL ID | CHEMBL118440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMHODBMVRLRLOW-UHFFFAOYSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
3.07
ALogP
2
HBA
2
HBD
61.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.35
EC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.35 | 6.56 | 45.0 | 2 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.53 | 4.53 | 29630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of VEGF receptor 2 mediated phosphorylation of poly-Glu/Tyr (4:1) | 14698157 |
| Platelet-derived growth factor receptor beta | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human recombinant PDGFRbeta | 19113866 |
| NON-PROTEIN TARGET | EC50 | = | 240.0 | nM | 6.62 | Inhibition of VEGF-mediated proliferation of HMVEC after 72 hrs | 19113866 |
| Fibroblast growth factor receptor 1 | IC50 | = | 390.0 | nM | 6.41 | Inhibition of human recombinant FGFR1 | 19113866 |
| Unchecked | IC50 | = | 1140.0 | nM | 5.94 | Compound was tested for the inhibition of VEGF-stimulated mitogenesis as determi... | 14698157 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human recombinant VEGFR2 | 19113866 |
| SK-OV-3 | IC50 | = | 13800.0 | nM | 4.86 | Cytotoxicity against human SKOV3 cells after 48 hrs by MTT assay | 30092368 |
| HepG2 | IC50 | = | 29630.0 | nM | 4.53 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 30092368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30092368 | 10.1016/j.ejmech.2018.07.066 | HepG2 | 2 |
| 14698157 | 10.1016/j.bmcl.2003.11.007 | Vascular endothelial growth factor receptor 2 | 1 |
| 14698157 | 10.1016/j.bmcl.2003.11.007 | Unchecked | 1 |
| 19113866 | 10.1021/jm800790t | Vascular endothelial growth factor receptor 2 | 1 |
| 19113866 | 10.1021/jm800790t | Fibroblast growth factor receptor 1 | 1 |
| 19113866 | 10.1021/jm800790t | Platelet-derived growth factor receptor beta | 1 |
| 19113866 | 10.1021/jm800790t | NON-PROTEIN TARGET | 1 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | SK-OV-3 | 1 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | NCI-H460 | 1 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | BEL-7404 tumor cell line | 1 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | L02 | 1 |
Data from ChEMBL 36 via Core Engine