Compound Detail
CHEMBL5090854
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Basic Information
| ChEMBL ID | CHEMBL5090854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLJLTRNOVXPKPN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
5.18
ALogP
8
HBA
2
HBD
112.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Toll-like receptor 8 CHEMBL5805 | EC50 | 6.3 | 6.3 | 501.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 400.0 | nM | 6.4 | Agonist activity at human TLR7 expressed in HEK293 cells incubated for 6 to 16 h... | 34048243 |
| Toll-like receptor 8 | EC50 | = | 501.0 | nM | 6.3 | Agonist activity at human TLR8 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