Compound Detail
CHEMBL4764237
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Basic Information
| ChEMBL ID | CHEMBL4764237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQNDXDFYKUZNPU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
1.31
ALogP
6
HBA
2
HBD
106.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 7.77 | 7.655 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye base... | 33007547 |
| Myeloperoxidase | IC50 | = | 29.0 | nM | 7.54 | Inhibition of recombinant human MPO incubated for 10 mins in presence of 240 mM ... | 33007547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33007547 | 10.1016/j.bmc.2020.115723 | Myeloperoxidase | 2 |
Data from ChEMBL 36 via Core Engine