Compound Detail
CHEMBL3740163
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CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL3740163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYTQUGSGHVOQKU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
4.99
ALogP
8
HBA
2
HBD
122.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 0.8 | nM | 9.1 | Antiproliferative activity against HUVEC assessed as inhibition of human recombi... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.8 | nM | 8.42 | Inhibition of human recombinant VEGFR-2 expressed in baculovirus using Poly (Glu... | - |
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