Compound Detail
CHEMBL4790706
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4790706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNYBTVKYLVLWCB-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.92
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.3
Kd 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | IC50 | 9.3 | 9.3 | 0.5 | 5 |
| Toll-like receptor 8 CHEMBL5805 | Kd | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of TLR8 in HEK-Blue hTLR8 assessed as reduction in SEAP production in... | 32845153 |
| Toll-like receptor 8 | IC50 | = | 0.5 | nM | 9.3 | Antagonist activity at R848 stimulated TRL8 overexpressed in HEK293 cells measur... | 33984476 |
| Toll-like receptor 8 | IC50 | = | 0.5 | nM | 9.3 | Antagonist activity at human TLR8 stably expressed in human HEK-Blue hTLR8 cells... | 34107682 |
| Toll-like receptor 8 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of human TLR8 | 32203790 |
| Toll-like receptor 8 | IC50 | = | 0.5 | nM | 9.3 | Antagonist activity at human TLR8 | 37163340 |
| Toll-like receptor 8 | Kd | = | 21.0 | nM | 7.68 | Antagonist activity at human TLR8 by Isothermal titration calorimetry | 34107682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34107682 | 10.1021/acs.jmedchem.1c00300 | Toll-like receptor 8 | 2 |
| 32845153 | 10.1021/acs.jmedchem.0c01049 | Toll-like receptor 8 | 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 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine