Compound Detail
CHEMBL5175964
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Basic Information
| ChEMBL ID | CHEMBL5175964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAXCUEOPBFVRKE-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
5.70
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | IC50 | 7.33 | 7.185 | 46.2 | 2 |
| Toll-like receptor 8 CHEMBL5805 | IC50 | 7.12 | 7.06 | 76.6 | 2 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | IC50 | = | 46.2 | nM | 7.33 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 8 | IC50 | = | 76.6 | nM | 7.12 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 7 | IC50 | = | 92.0 | nM | 7.04 | Antagonist activity at gardiquimod stimulated human TRL7 overexpressed in HEK293... | 35586440 |
| Toll-like receptor 8 | IC50 | = | 99.0 | nM | 7.0 | Antagonist activity at R848 stimulated human TRL8 overexpressed in HEK293 cells ... | 35586440 |
| Toll-like receptor 9 | IC50 | = | 1440.0 | nM | 5.84 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35586440 | 10.1021/acsmedchemlett.2c00049 | Toll-like receptor 7 | 1 |
| 35586440 | 10.1021/acsmedchemlett.2c00049 | Toll-like receptor 8 | 1 |
| 35586440 | 10.1021/acsmedchemlett.2c00049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine