Compound Detail
CHEMBL5808236
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Basic Information
| ChEMBL ID | CHEMBL5808236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWZPAKRFTOPUQA-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
5.63
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | IC50 | 8.74 | 8.53 | 1.8 | 2 |
| Toll-like receptor 7 CHEMBL5936 | IC50 | 8.33 | 8.125 | 4.7 | 2 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.47 | 5.35 | 3404.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | IC50 | = | 1.8 | nM | 8.74 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 7 | IC50 | = | 4.7 | nM | 8.33 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 8 | IC50 | = | 4.8 | nM | 8.32 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 7 | IC50 | = | 12.0 | nM | 7.92 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 9 | IC50 | = | 3404.0 | nM | 5.47 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 9 | IC50 | = | 5847.0 | nM | 5.23 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
Data from ChEMBL 36 via Core Engine