Compound Detail
CHEMBL379661
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Basic Information
| ChEMBL ID | CHEMBL379661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXQQIVCSTCQZAB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
3.87
ALogP
7
HBA
2
HBD
76.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 74.0 | nM | 7.13 | Inhibition of VEGFR2 | 16789733 |
| HUVEC | IC50 | = | 110.0 | nM | 6.96 | Antiproliferative activity against VEGF-stimulated HUVEC | 16789733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789733 | 10.1021/jm060347y | L2987 | 1 |
| 16789733 | 10.1021/jm060347y | HUVEC | 1 |
| 16789733 | 10.1021/jm060347y | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine