Compound Detail
CHEMBL4647559
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Basic Information
| ChEMBL ID | CHEMBL4647559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UITORJDEMKPKGW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.48
ALogP
5
HBA
1
HBD
51.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | IC50 | 7.82 | 7.185 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | IC50 | = | 15.0 | nM | 7.82 | Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA4... | 32786235 |
| Toll-like receptor 8 | IC50 | = | 280.0 | nM | 6.55 | Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazol... | 32786235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32786235 | 10.1021/acs.jmedchem.0c00130 | No relevant target | 3 |
| 32786235 | 10.1021/acs.jmedchem.0c00130 | Toll-like receptor 8 | 2 |
| 32786235 | 10.1021/acs.jmedchem.0c00130 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine