Compound Detail
CHEMBL191160
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Basic Information
| ChEMBL ID | CHEMBL191160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQOMHHDPYUXRBG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.0
MW (Da)
5.22
ALogP
6
HBA
2
HBD
66.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.4 | 6.4 | 398.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.27 | 5.27 | 5385.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 399.0 | nM | 6.4 | Inhibition of vascular endothelial growth factor receptor 2 | 16033269 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 398.11 | nM | 6.4 | Inhibitory concentration (experimental) against vascular endothelial growth fact... | 16033269 |
| Unchecked | IC50 | = | 5385.0 | nM | 5.27 | Inhibition of cyclin-dependent kinase 1 activity | 16033269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033269 | 10.1021/jm058205b | Vascular endothelial growth factor receptor 2 | 3 |
| 16033269 | 10.1021/jm058205b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine