Compound Detail
CHEMBL462338
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Basic Information
| ChEMBL ID | CHEMBL462338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJBMEBMIUCBAAE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.99
ALogP
6
HBA
2
HBD
75.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of IGF1R by virtual HTS assay | 19211246 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of Src by virtual HTS assay | 19211246 |
| Epidermal growth factor receptor | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of EGFR by virtual HTS assay | 19211246 |
| Angiopoietin-1 receptor | IC50 | = | 8700.0 | nM | 5.06 | Inhibition of TIE2 by virtual HTS assay | 19211246 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of VEGFR2 by virtual HTS assay | 19211246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase B | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase A | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Vascular endothelial growth factor receptor 3 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Vascular endothelial growth factor receptor 2 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Angiopoietin-1 receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Epidermal growth factor receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine