Compound Detail
CHEMBL3752879
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Basic Information
| ChEMBL ID | CHEMBL3752879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXSPIELJIFZXML-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
1.47
ALogP
6
HBA
2
HBD
106.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.28 | 7.0033 | 52.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 52.0 | nM | 7.28 | Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P... | 26652860 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 52.0 | nM | 7.28 | Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of... | 27814560 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 354.0 | nM | 6.45 | Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-... | 26652860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26652860 | 10.1021/acs.jmedchem.5b01522 | Proto-oncogene tyrosine-protein kinase receptor Ret | 5 |
| 26652860 | 10.1021/acs.jmedchem.5b01522 | ADMET | 1 |
| 26652860 | 10.1021/acs.jmedchem.5b01522 | BaF3 | 1 |
| 27814560 | 10.1016/j.ejmech.2016.10.050 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 27814560 | 10.1016/j.ejmech.2016.10.050 | Liver | 1 |
Data from ChEMBL 36 via Core Engine