Compound Detail
CHEMBL4455899
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Basic Information
| ChEMBL ID | CHEMBL4455899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFYFUZRTALWZSP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.50
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 1800.0 | nM | 5.75 | 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 | PBMC | 4 |
| 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