Compound Detail
CHEMBL47173
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Basic Information
| ChEMBL ID | CHEMBL47173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXSZWRDLPDUWGV-RAXLEYEMSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.97
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| Chymotrypsin-C CHEMBL2386 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1130.0 | nM | 5.95 | Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetri... | 29549836 |
| Beta-lactamase | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against beta-lactamase | 11931626 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of wild type recombinant human RET using peptide as substrate by fluo... | 29549836 |
| Epidermal growth factor receptor | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of recombinant human EGFR using peptide as substrate by fluorimetric ... | 29549836 |
| Chymotrypsin-C | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against chymotrypsinogen | 11931626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931626 | 10.1021/jm010533y | Beta-lactamase | 3 |
| 29549836 | 10.1016/j.ejmech.2018.02.080 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2 |
| 11931626 | 10.1021/jm010533y | Chymotrypsin-C | 1 |
| 11931626 | 10.1021/jm010533y | Unchecked | 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