Compound Detail
CHEMBL4798810
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Basic Information
| ChEMBL ID | CHEMBL4798810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSDHKYHHPHTISH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
243.2
MW (Da)
1.67
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 7.5 | 7.3667 | 32.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of recombinant human MPO incubated for 10 mins in presence of 240 mM ... | 33007547 |
| Myeloperoxidase | IC50 | = | 46.0 | nM | 7.34 | Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye base... | 33007547 |
| Myeloperoxidase | IC50 | = | 55.0 | nM | 7.26 | MPO Peroxidation Assay (Amplex Red Assay): MPO peroxidation activity was measure... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33007547 | 10.1016/j.bmc.2020.115723 | Myeloperoxidase | 2 |
Data from ChEMBL 36 via Core Engine