Compound Detail
CHEMBL491677
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Basic Information
| ChEMBL ID | CHEMBL491677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDFSDWFVXLJPNL-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.91
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 920.0 | nM | 6.04 | Inhibition of Aurora B by virtual HTS assay | 19211246 |
| Epidermal growth factor receptor | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of EGFR by virtual HTS assay | 19211246 |
| Aurora kinase A | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of Aurora A by virtual HTS assay | 19211246 |
| Cyclin-dependent kinase 4 | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of CDK4 by virtual HTS assay | 19211246 |
| Insulin-like growth factor 1 receptor | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of IGF1R by virtual HTS assay | 19211246 |
| Insulin receptor | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of insulin receptor by virtual HTS assay | 19211246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin-like growth factor 1 receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Cyclin-dependent kinase 4 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase A | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Epidermal growth factor receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine