Compound Detail
CHEMBL273103
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Basic Information
| ChEMBL ID | CHEMBL273103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAHZLNKOVIYDGB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.47
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 10.3 | 10.3 | 0.1 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 4.68 | 4.68 | 20900.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.67 | 4.67 | 21600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 0.05 | nM | 10.3 | Antioxidant activity assessed as DPPH radical scavenging activity incubated at r... | 25278230 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 20900.0 | nM | 4.68 | Inhibition of wild type recombinant human RET using peptide as substrate by fluo... | 29549836 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 21600.0 | nM | 4.67 | Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetri... | 29549836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18307286 | 10.1021/jm070352h | Aorta | 5 |
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 469554 | 10.1021/np50001a002 | L1210 | 1 |
| 23771043 | 10.1016/j.ejmech.2013.04.064 | HCT-116 | 1 |
| 25278230 | 10.1016/j.bmcl.2014.09.028 | No relevant target | 1 |
| 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