Compound Detail
CHEMBL5801912
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Basic Information
| ChEMBL ID | CHEMBL5801912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCZUOVPSNJKMMS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
2.14
ALogP
9
HBA
2
HBD
124.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 7.4 | 7.25 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 40.0 | nM | 7.4 | MPO Peroxidation (Amplex Red) Assay: MPO peroxidation activity was measured in 1... | - |
| Myeloperoxidase | IC50 | = | 80.0 | nM | 7.1 | MPO Chlorination (APF) Assay : MPO chlorination activity was measured in 100 mM ... | - |
Data from ChEMBL 36 via Core Engine