Compound Detail
CHEMBL5268440
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Basic Information
| ChEMBL ID | CHEMBL5268440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMDGIQUJSYPMLF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.91
ALogP
5
HBA
2
HBD
80.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 8.26 | 7.3533 | 5.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 5.5 | nM | 8.26 | In Vitro Receptor Binding Activity Screening Assay: Reagents:HEK-blue hTLR7 cell... | - |
| Toll-like receptor 7 | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at TLR7 (unknown origin) | 34355178 |
| Toll-like receptor 7 | EC50 | = | 160.0 | nM | 6.8 | Agonist activity at TLR7 (unknown origin) | 37163340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34355178 | 10.1039/D1MD00031D | Toll-like receptor 7 | 1 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine