Compound Detail
CHEMBL3953437
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Basic Information
| ChEMBL ID | CHEMBL3953437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEMDSEYGZFYNNA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.11
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of MPO chlorination activity (unknown origin) assessed as taurine chl... | 27537923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27537923 | 10.1016/j.ejmech.2016.07.053 | Myeloperoxidase | 1 |
| 27537923 | 10.1016/j.ejmech.2016.07.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine