Compound Detail
CHEMBL5422476
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Nc1ccc2cc(OCc3cn(CCOCCn4cc(COc5ccc6nc(N)ccc6c5)nn4)nn3)ccc2n1
Basic Information
| ChEMBL ID | CHEMBL5422476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWWNKYLRNYNSPX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
3.01
ALogP
13
HBA
2
HBD
166.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil cytosol factor 1 CHEMBL1613743 | Ki | 5.74 | 5.74 | 1820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil cytosol factor 1 | Ki | = | 1820.0 | nM | 5.74 | 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 | Neutrophil cytosol factor 1 | 1 |
Data from ChEMBL 36 via Core Engine