Compound Detail
CHEMBL476451
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Basic Information
| ChEMBL ID | CHEMBL476451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USFRNJSCBVCBFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
5.04
ALogP
6
HBA
4
HBD
112.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 1.6 | nM | 8.8 | Inhibition of GST-tagged human IGF1R expressed in Sf9 cells by Wallac Victor flu... | 19056263 |
| Aurora kinase B | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Aurora B | 19056263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19056263 | 10.1016/j.bmcl.2008.11.046 | Insulin-like growth factor 1 receptor | 1 |
| 19056263 | 10.1016/j.bmcl.2008.11.046 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine