Compound Detail
CHEMBL5886717
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Basic Information
| ChEMBL ID | CHEMBL5886717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXEZTHHFXAXTLO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
3.79
ALogP
7
HBA
2
HBD
83.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 4 CHEMBL1250375 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| Cytochrome b-245 heavy chain CHEMBL1287627 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 4 | IC50 | = | 1680.0 | nM | 5.78 | Nox4 Assay: Cells: HEK (CJ Nox4) stably expressing Nox4 was purchased from Redox... | - |
| Cytochrome b-245 heavy chain | IC50 | = | 15000.0 | nM | 4.82 | Nox2 Assay: Cells: Human blood was purchased in buffy coat, prepared the same da... | - |
Data from ChEMBL 36 via Core Engine