Compound Detail
CHEMBL3104853
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Basic Information
| ChEMBL ID | CHEMBL3104853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTFXMLVITCJWNE-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
1.07
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 5.03 | 5.03 | 9330.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of IGF1R (unknown origin) | 24328302 |
| ALK tyrosine kinase receptor | IC50 | = | 9330.0 | nM | 5.03 | Inhibition of ALK (unknown origin) | 24328302 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of AXL (unknown origin) | 24328302 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of SRC (unknown origin) | 24328302 |
| Focal adhesion kinase 1 | IC50 | = | 20600.0 | nM | 4.69 | Inhibition of FAK (unknown origin) | 24328302 |
| Aurora kinase B | IC50 | = | 20600.0 | nM | 4.69 | Inhibition of aurora-B (unknown origin) | 24328302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24328302 | 10.1021/np4005745 | Vascular endothelial growth factor receptor 2 | 1 |
| 24328302 | 10.1021/np4005745 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 24328302 | 10.1021/np4005745 | Serine/threonine-protein kinase N1 | 1 |
| 24328302 | 10.1021/np4005745 | Serine/threonine-protein kinase PLK1 | 1 |
| 24328302 | 10.1021/np4005745 | Serine/threonine-protein kinase pim-1 | 1 |
| 24328302 | 10.1021/np4005745 | Serine/threonine-protein kinase Nek6 | 1 |
| 24328302 | 10.1021/np4005745 | Serine/threonine-protein kinase Nek2 | 1 |
| 24328302 | 10.1021/np4005745 | Hepatocyte growth factor receptor | 1 |
| 24328302 | 10.1021/np4005745 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 24328302 | 10.1021/np4005745 | Insulin-like growth factor 1 receptor | 1 |
| 24328302 | 10.1021/np4005745 | Focal adhesion kinase 1 | 1 |
| 24328302 | 10.1021/np4005745 | Tyrosine-protein kinase receptor UFO | 1 |
| 24328302 | 10.1021/np4005745 | Aurora kinase B | 1 |
| 24328302 | 10.1021/np4005745 | NUAK family SNF1-like kinase 1 | 1 |
| 24328302 | 10.1021/np4005745 | ALK tyrosine kinase receptor | 1 |
| 24328302 | 10.1021/np4005745 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine