Compound Detail
CHEMBL5076862
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Basic Information
| ChEMBL ID | CHEMBL5076862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBXIEZGSSPSVNJ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL5095527 |
| Active Moiety | CHEMBL5095527 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.62
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Toll-like receptor 7 CHEMBL5936 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | EC50 | = | 3000.0 | nM | 5.52 | Agonist activity at human TLR8 expressed in HEK293 cells incubated for 6 to 16 h... | 34048243 |
| Toll-like receptor 7 | EC50 | = | 5000.0 | nM | 5.3 | Agonist activity at human TLR7 expressed in HEK293 cells incubated for 6 to 16 h... | 34048243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34048243 | 10.1021/acs.jmedchem.1c00179 | Toll-like receptor 7 | 1 |
| 34048243 | 10.1021/acs.jmedchem.1c00179 | Toll-like receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine