Compound Detail
CHEMBL3706816
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C#CC(OC1=CC(=O)C(Nc2ncnc3cc(OCCCN4CCCC4)c(OC)cc23)=CC1=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3706816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQSPJEYNFDJKEM-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
4.23
ALogP
9
HBA
1
HBD
102.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.44 | 8.19 | 3.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.6 | nM | 8.44 | Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ... | 16302797 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5.2 | nM | 8.28 | Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ... | 16302797 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 8.8 | nM | 8.06 | Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ... | 16302797 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 10.4 | nM | 7.98 | Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 m... | 16302797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302797 | 10.1021/jm050559f | Vascular endothelial growth factor receptor 2 | 4 |
Data from ChEMBL 36 via Core Engine