Compound Detail
CHEMBL3919858
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3919858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDLCTSFOERZWSP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.43
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 650.0 | nM | 6.19 | 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