Compound Detail
CHEMBL4553089
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Basic Information
| ChEMBL ID | CHEMBL4553089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNKGGVGQAVODNJ-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
1.80
ALogP
4
HBA
1
HBD
73.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.17
Kd 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | IC50 | 7.17 | 7.17 | 67.0 | 3 |
| Toll-like receptor 8 CHEMBL5805 | Kd | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | IC50 | = | 67.0 | nM | 7.17 | Antagonist activity at R848 stimulated TRL8 overexpressed in HEK293 cells measur... | 33984476 |
| Toll-like receptor 8 | IC50 | = | 67.0 | nM | 7.17 | Inhibition of human TLR8 | 32203790 |
| Toll-like receptor 8 | IC50 | = | 67.0 | nM | 7.17 | Antagonist activity at human TLR8 | 37163340 |
| Toll-like receptor 8 | Kd | = | 220.0 | nM | 6.66 | Binding affinity to human TLR8 expressed in HEK-Blue hTLR8 cells | 37163340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 8 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 33984476 | 10.1016/j.bmcl.2021.128101 | Toll-like receptor 8 | 1 |
| 32203790 | 10.1016/j.ejmech.2020.112238 | Toll-like receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine