Compound Detail
CHEMBL231153
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Basic Information
| ChEMBL ID | CHEMBL231153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSUCBZJSTXEGSF-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.13
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | Ki | = | 199.53 | nM | 6.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 1258.93 | nM | 5.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of KDR | 17188869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17188869 | 10.1016/j.bmcl.2006.12.015 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine