Compound Detail
CHEMBL399208
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Basic Information
| ChEMBL ID | CHEMBL399208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNLRJRUFOIDTER-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
4.35
ALogP
9
HBA
2
HBD
104.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.47 | 7.47 | 34.0 | 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 | = | 34.0 | nM | 7.47 | Inhibition of RET kinase in Sf9 cells | 17884497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Unchecked | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Tyrosine-protein kinase Lyn | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Vascular endothelial growth factor receptor 2 | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine