Compound Detail
CHEMBL4790219
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Basic Information
| ChEMBL ID | CHEMBL4790219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGZDPGSCHBPJMQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
2.75
ALogP
8
HBA
2
HBD
117.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1173.81 | ng.hr.mL-1 | Mus musculus |
| CL | 96.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 354.0 | nM | Mus musculus |
| F | 34.0 | % | Mus musculus |
| T1/2 | 4.1 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | IC50 | = | 1.0 | nM | 9.0 | Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiq... | 32738975 |
| Toll-like receptor 9 | IC50 | = | 3300.0 | nM | 5.48 | Antagonist activity at TLR9 in human PBMC assessed as inhibition of ODN2216-indu... | 32738975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32738975 | 10.1016/j.bmcl.2020.127366 | ADMET | 6 |
| 32738975 | 10.1016/j.bmcl.2020.127366 | Toll-like receptor 7 | 1 |
| 32738975 | 10.1016/j.bmcl.2020.127366 | Toll-like receptor 8 | 1 |
| 32738975 | 10.1016/j.bmcl.2020.127366 | Toll-like receptor 9 | 1 |
Data from ChEMBL 36 via Core Engine