Compound Detail
CHEMBL3740087
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CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(C(=O)Nc5cccc(Br)c5)cccc4c3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL3740087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZARJRZSODXGZPA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
603.5
MW (Da)
6.73
ALogP
7
HBA
2
HBD
110.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| HUVEC CHEMBL613979 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human recombinant VEGFR-2 expressed in baculovirus using Poly (Glu... | - |
| HUVEC | IC50 | = | 6.8 | nM | 8.17 | Antiproliferative activity against HUVEC assessed as inhibition of human recombi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00191A | Vascular endothelial growth factor receptor 2 | 1 |
| - | 10.1039/C5MD00191A | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine