Compound Detail
CHEMBL5961366
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Basic Information
| ChEMBL ID | CHEMBL5961366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIQBFCBBYRDDHM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.6
MW (Da)
6.31
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Toll-like receptor 8 CHEMBL5805 | IC50 | 7.49 | 7.49 | 32.1 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | IC50 | = | 19.0 | nM | 7.72 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 8 | IC50 | = | 32.1 | nM | 7.49 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 9 | IC50 | = | 86.0 | nM | 7.07 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
Data from ChEMBL 36 via Core Engine