Compound Detail
CHEMBL4238771
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Basic Information
| ChEMBL ID | CHEMBL4238771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAFYIAMZMFFEAQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
336.2
MW (Da)
5.07
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.11 | 5.11 | 7730.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.03 | 5.01 | 9380.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.34 | 4.34 | 45500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 7730.0 | nM | 5.11 | Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetri... | 29549836 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 9380.0 | nM | 5.03 | Inhibition of wild type recombinant human RET using peptide as substrate by fluo... | 29549836 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of recombinant human RET V804L mutant using peptide as substrate by f... | 29549836 |
| Epidermal growth factor receptor | IC50 | = | 45500.0 | nM | 4.34 | Inhibition of recombinant human EGFR using peptide as substrate by fluorimetric ... | 29549836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29549836 | 10.1016/j.ejmech.2018.02.080 | TT | 3 |
| 29549836 | 10.1016/j.ejmech.2018.02.080 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2 |
| 29549836 | 10.1016/j.ejmech.2018.02.080 | No relevant target | 2 |
| 29549836 | 10.1016/j.ejmech.2018.02.080 | ADMET | 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