Compound Detail
CHEMBL5413611
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Basic Information
| ChEMBL ID | CHEMBL5413611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSYUPEWXJOADHQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
1.65
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.83
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain CHEMBL1287627 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| Cytochrome b-245 heavy chain CHEMBL1287627 | IC50 | 6.83 | 5.55 | 149.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain | Ki | = | 54.0 | nM | 7.27 | Binding affinity to NOX2 (unknown origin) assessed as inhibition constant | 37650225 |
| Cytochrome b-245 heavy chain | IC50 | = | 149.0 | nM | 6.83 | Inhibition of NOX2 (unknown origin) | 37650225 |
| Cytochrome b-245 heavy chain | IC50 | = | 54000.0 | nM | 4.27 | Inhibition of human NOX2 | 37650225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37650225 | 10.1021/acs.jmedchem.3c00770 | Cytochrome b-245 heavy chain | 3 |
Data from ChEMBL 36 via Core Engine