Compound Detail
CHEMBL5855721
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Basic Information
| ChEMBL ID | CHEMBL5855721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZIHNMQMDRWUEU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.7
MW (Da)
4.98
ALogP
4
HBA
2
HBD
55.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Toll-like receptor 7 CHEMBL5936 | IC50 | 7.51 | 7.51 | 30.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | IC50 | = | 2.9 | nM | 8.54 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 9 | IC50 | = | 16.0 | nM | 7.8 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 7 | IC50 | = | 30.6 | nM | 7.51 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
Data from ChEMBL 36 via Core Engine