Compound Detail
CHEMBL5399098
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Nc1ccc2cc(OCCOCCn3cc(COc4ccc5nc(N)cc(N6CCCCCC6)c5c4)nn3)ccc2n1
Basic Information
| ChEMBL ID | CHEMBL5399098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPRQTSWVENCFLJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.7
MW (Da)
4.59
ALogP
11
HBA
2
HBD
139.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil cytosol factor 1 CHEMBL1613743 | Ki | 5.73 | 5.73 | 1880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil cytosol factor 1 | Ki | = | 1880.0 | nM | 5.73 | 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