Compound Detail
CHEMBL180603
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Basic Information
| ChEMBL ID | CHEMBL180603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYBBUCLKBDKNPC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
2.21
ALogP
9
HBA
3
HBD
122.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell line CHEMBL614840 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell line | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration against Human umbilical vein endothelial cells stimulat... | 15713401 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibitory concentration against Vascular endothelial growth factor receptor 2 | 15713401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713401 | 10.1016/j.bmcl.2004.12.079 | Vascular endothelial growth factor receptor 2 | 1 |
| 15713401 | 10.1016/j.bmcl.2004.12.079 | Cell line | 1 |
| 15713401 | 10.1016/j.bmcl.2004.12.079 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine