Compound Detail
CHEMBL4064328
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Basic Information
| ChEMBL ID | CHEMBL4064328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRIWTGPMPWVNBD-SNVBAGLBSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
1.48
ALogP
4
HBA
3
HBD
56.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 7.3 | 7.11 | 50.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine ... | 28671460 |
| Myeloperoxidase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of recombinant MPO (unknown origin) assessed as reduction in LDL oxid... | 28671460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28671460 | 10.1021/acs.jmedchem.7b00285 | Myeloperoxidase | 8 |
| 28671460 | 10.1021/acs.jmedchem.7b00285 | Neutrophil | 2 |
| 28671460 | 10.1021/acs.jmedchem.7b00285 | NHDF | 1 |
| 28671460 | 10.1021/acs.jmedchem.7b00285 | Lactoperoxidase | 1 |
| 28671460 | 10.1021/acs.jmedchem.7b00285 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine