Compound Detail
CHEMBL4456944
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Basic Information
| ChEMBL ID | CHEMBL4456944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZJNKKLYCAFBMJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.88
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 4000.0 | nM | 5.4 | Agonist activity at human TLR7 in HEK293 cells cotransfected with SEAP reporter ... | 31247373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31247373 | 10.1016/j.ejmech.2019.06.030 | Toll-like receptor 7 | 2 |
| 31247373 | 10.1016/j.ejmech.2019.06.030 | HEK293 | 1 |
| 31247373 | 10.1016/j.ejmech.2019.06.030 | Toll-like receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine