Compound Detail
CHEMBL2347029
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Basic Information
| ChEMBL ID | CHEMBL2347029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRYDUVXVHIXPLS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
2.77
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 6.74 | 6.675 | 182.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 182.0 | nM | 6.74 | Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins b... | 23581551 |
| Myeloperoxidase | IC50 | = | 243.0 | nM | 6.61 | Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA | 23581551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23581551 | 10.1021/jm4001538 | Myeloperoxidase | 2 |
Data from ChEMBL 36 via Core Engine