Compound Detail
CHEMBL5842002
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Basic Information
| ChEMBL ID | CHEMBL5842002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URHOZNHIFMYLQO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.17
ALogP
7
HBA
2
HBD
98.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 6.34 | 6.29 | 460.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 460.0 | nM | 6.34 | MPO Peroxidation (Amplex Red) Assay: MPO peroxidation activity was measured in 1... | - |
| Myeloperoxidase | IC50 | = | 580.0 | nM | 6.24 | MPO Chlorination (APF) Assay : MPO chlorination activity was measured in 100 mM ... | - |
Data from ChEMBL 36 via Core Engine