Compound Detail
CHEMBL401153
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Basic Information
| ChEMBL ID | CHEMBL401153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYYGTPFQKSTOIQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.8
MW (Da)
3.99
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 2.0 | nM | 8.7 | Inhibition of phosphorylated-Kdr after 30 mins | 17869515 |
| HUVEC | IC50 | = | 40.0 | nM | 7.4 | Antiproliferative activity against VEGF-driven HUVEC | 17869515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17869515 | 10.1016/j.bmcl.2007.07.077 | HUVEC | 2 |
| 17869515 | 10.1016/j.bmcl.2007.07.077 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine