Compound Detail
CHEMBL5412241
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Basic Information
| ChEMBL ID | CHEMBL5412241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZCJYOWQFJTNEI-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
469.3
MW (Da)
4.18
ALogP
7
HBA
2
HBD
105.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Ki 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain CHEMBL1287627 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Neutrophil cytosol factor 1 CHEMBL1613743 | Ki | 4.78 | 4.78 | 16800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of NOX-2 dependent superoxide generation in PMA-differentiated human ... | 37857466 |
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of NOX-2 dependent superoxide generation in PMA-stimulated African gr... | 37857466 |
| Neutrophil cytosol factor 1 | Ki | = | 16800.0 | nM | 4.78 | Inhibition of Cy5-labeled p22phox (149 to 162 residues) probe binding to His-tag... | 37857466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37857466 | 10.1021/acs.jmedchem.3c01548 | HL-60 | 4 |
| 37857466 | 10.1021/acs.jmedchem.3c01548 | Unchecked | 4 |
| 37857466 | 10.1021/acs.jmedchem.3c01548 | Cytochrome b-245 heavy chain | 2 |
| 37857466 | 10.1021/acs.jmedchem.3c01548 | Neutrophil cytosol factor 1 | 1 |
Data from ChEMBL 36 via Core Engine