Compound Detail
CHEMBL5558431
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Basic Information
| ChEMBL ID | CHEMBL5558431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKJIRUGSSNOIRQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
2.61
ALogP
4
HBA
0
HBD
19.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoperoxidase CHEMBL5898 | IC50 | 4.41 | 4.41 | 38700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoperoxidase | IC50 | = | 38700.0 | nM | 4.41 | Inhibition of LPO (unknown origin)-mediated L-tyrosine nitration incubated for 2... | 38716896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38716896 | 10.1021/acs.jmedchem.3c02426 | Lactoperoxidase | 1 |
Data from ChEMBL 36 via Core Engine