Compound Detail
CHEMBL396098
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL396098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXRHMJVNURARCX-YBFXNURJSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
4.55
ALogP
5
HBA
4
HBD
108.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.65 | 4.63 | 22200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 50.0 | nM | 7.3 | Inhibition of RET in mouse NIH3T3MEN2A cells | 17499504 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 50.0 | nM | 7.3 | Inhibition of RET kinase | 21724393 |
| NON-PROTEIN TARGET | IC50 | = | 8200.0 | nM | 5.09 | Antiproliferative activity against RET C634R mutant oncogene-transformed mouse N... | 17499504 |
| NIH3T3 | IC50 | = | 22200.0 | nM | 4.65 | Antiproliferative activity against H-RAS transformed mouse NIH3T3 cells after 72... | 17499504 |
| NIH3T3 | IC50 | = | 24400.0 | nM | 4.61 | Antiproliferative activity against mouse NIH3T3 after 72 hrs | 17499504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17499504 | 10.1016/j.bmcl.2007.04.091 | NIH3T3 | 2 |
| 17499504 | 10.1016/j.bmcl.2007.04.091 | Unchecked | 1 |
| 17499504 | 10.1016/j.bmcl.2007.04.091 | NON-PROTEIN TARGET | 1 |
| 17499504 | 10.1016/j.bmcl.2007.04.091 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 21724393 | 10.1016/j.bmcl.2011.06.003 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
Data from ChEMBL 36 via Core Engine