Compound Detail
CHEMBL3356617
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Basic Information
| ChEMBL ID | CHEMBL3356617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAYITPBBYSANJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
2.66
ALogP
6
HBA
0
HBD
38.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 9 CHEMBL5804 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 9 | IC50 | = | 11.0 | nM | 7.96 | Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-... | 25408837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25408837 | 10.1021/ml5003184 | Toll-like receptor 9 | 1 |
Data from ChEMBL 36 via Core Engine