Compound Detail
CHEMBL5275885
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Basic Information
| ChEMBL ID | CHEMBL5275885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHRYTTWRVKXODS-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.56
ALogP
5
HBA
1
HBD
88.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | EC50 | 7.52 | 5.62 | 30.0 | 3 |
| Toll-like receptor 7 CHEMBL5936 | EC50 | 7.52 | 6.17 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | EC50 | = | 30.0 | nM | 7.52 | Agonist activity in TLR8 (unknown origin) expressed in HEK293 cells assessed as ... | 32203790 |
| Toll-like receptor 7 | EC50 | = | 30.0 | nM | 7.52 | Agonist activity at TLR7 (unknown origin) | 34355178 |
| Toll-like receptor 7 | EC50 | = | 15000.0 | nM | 4.82 | Agonist activity at human TLR7 transfected in HEK-Blue hTLR7 cells | 32203790 |
| Toll-like receptor 8 | EC50 | = | 15000.0 | nM | 4.82 | Agonist activity at TLR8 (unknown origin) | 34355178 |
| Toll-like receptor 8 | EC50 | = | 30000.0 | nM | 4.52 | Agonist activity at human TLR8 transfected in HEK-Blue hTLR8 cells | 32203790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32203790 | 10.1016/j.ejmech.2020.112238 | Toll-like receptor 8 | 2 |
| 32203790 | 10.1016/j.ejmech.2020.112238 | Toll-like receptor 7 | 1 |
| 34355178 | 10.1039/D1MD00031D | Toll-like receptor 8 | 1 |
| 34355178 | 10.1039/D1MD00031D | Toll-like receptor 7 | 1 |
| 34355178 | 10.1039/D1MD00031D | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine