Compound Detail
CHEMBL1488812
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Basic Information
| ChEMBL ID | CHEMBL1488812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPJXPVRFHXLPJV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
3.89
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.21 | 4.695 | 6160.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.29 | 4.29 | 51600.0 | 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 | = | 6160.0 | nM | 5.21 | Inhibition of wild type recombinant human RET using peptide as substrate by fluo... | 29549836 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 51600.0 | nM | 4.29 | Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetri... | 29549836 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 66200.0 | nM | 4.18 | Inhibition of recombinant human RET V804L mutant using peptide as substrate by f... | 29549836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29549836 | 10.1016/j.ejmech.2018.02.080 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2 |
| 29549836 | 10.1016/j.ejmech.2018.02.080 | Vascular endothelial growth factor receptor 2 | 1 |
| 29549836 | 10.1016/j.ejmech.2018.02.080 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine