Compound Detail
CHEMBL4239930
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Basic Information
| ChEMBL ID | CHEMBL4239930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULSSKQZDYJCAFJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
2.80
ALogP
4
HBA
2
HBD
71.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 4.2 | 4.2 | 63800.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.17 | 4.17 | 67000.0 | 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 | = | 63800.0 | nM | 4.2 | Inhibition of wild type recombinant human RET using peptide as substrate by fluo... | 29549836 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 67000.0 | nM | 4.17 | Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetri... | 29549836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29549836 | 10.1016/j.ejmech.2018.02.080 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 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