Compound Detail
CHEMBL3220401
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Basic Information
| ChEMBL ID | CHEMBL3220401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBUOESDFBBILKU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.97
ALogP
6
HBA
2
HBD
82.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 590.0 | nM | 6.23 | Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in b... | 26874741 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells pr... | 26874741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00115E | Epidermal growth factor receptor | 1 |
| - | 10.1039/C0MD00115E | Receptor tyrosine-protein kinase erbB-2 | 1 |
| - | 10.1039/C0MD00115E | Vascular endothelial growth factor receptor 1 | 1 |
| - | 10.1039/C0MD00115E | Vascular endothelial growth factor receptor 2 | 1 |
| 26874741 | 10.1016/j.ejmech.2016.01.039 | Vascular endothelial growth factor receptor 2 | 1 |
| 26874741 | 10.1016/j.ejmech.2016.01.039 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 26874741 | 10.1016/j.ejmech.2016.01.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine