Compound Detail
CHEMBL56393
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Basic Information
| ChEMBL ID | CHEMBL56393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CANOJKGQDCJDOX-VZUCSPMQSA-N |
10
Targets
30
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.30
ALogP
6
HBA
4
HBD
121.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 27 meas. best 7.21
EC50 3 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.1 | 5.8933 | 79.5 | 3 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 6.59 | 5.87 | 259.0 | 2 |
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.43 | 5.86 | 370.0 | 6 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.57 | 5.465 | 2680.0 | 2 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.25 | 5.25 | 5590.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 5.2 | 5.2 | 6360.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 5.09 | 5.09 | 8030.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.02 | 5.02 | 9490.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 4.9143 | 10000.0 | 7 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 4.77 | 4.76 | 16982.4 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.41 | 4.41 | 39120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 7 |
| 1676428 | 10.1021/jm00110a022 | Epidermal growth factor receptor | 3 |
| 8960549 | 10.1021/jm960225d | Epidermal growth factor receptor | 2 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Vascular endothelial growth factor receptor 1 | 1 |
| 28161249 | 10.1016/j.bmc.2017.01.028 | DNA repair nuclease/redox regulator APEX1 | 1 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Ephrin type-A receptor 2 | 1 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Epidermal growth factor receptor | 1 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Platelet-derived growth factor receptor beta | 1 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Platelet-derived growth factor receptor alpha | 1 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Mast/stem cell growth factor receptor Kit | 1 |
| 22130133 | 10.1016/j.bmcl.2011.11.003 | Vascular endothelial growth factor receptor 2 | 1 |
| 14561085 | 10.1021/jm030065n | Epidermal growth factor receptor | 1 |
| 17376430 | 10.1016/j.ejphar.2007.01.052 | NON-PROTEIN TARGET | 1 |
| 19610618 | 10.1021/jm9002395 | Insulin-like growth factor 1 receptor | 1 |
| 1479375 | 10.1021/np50089a001 | Epidermal growth factor receptor | 1 |
| 1676428 | 10.1021/jm00110a022 | NIH3T3 | 1 |
| 1676428 | 10.1021/jm00110a022 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine