Compound Detail
CHEMBL1630728
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Basic Information
| ChEMBL ID | CHEMBL1630728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NONLJDVFYRBQIM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
3.24
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 6.6 | 6.295 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system | 21090682 |
| Myeloperoxidase | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of recombinant MPO mediated taurine chlorination by microplate reader... | 21090682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21090682 | 10.1021/jm1009988 | Myeloperoxidase | 2 |
Data from ChEMBL 36 via Core Engine