Compound Detail
CHEMBL4071152
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Basic Information
| ChEMBL ID | CHEMBL4071152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIAMYZCEEUPXLJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
3.10
ALogP
8
HBA
2
HBD
103.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 9 CHEMBL5804 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Toll-like receptor 7 CHEMBL5936 | IC50 | 4.96 | 4.96 | 10840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 9 | IC50 | = | 60.0 | nM | 7.22 | Antagonist activity at human TLR9 expressed in HEK293 cells assessed as inhibiti... | 28437629 |
| Toll-like receptor 7 | IC50 | = | 10840.0 | nM | 4.96 | Antagonist activity at human TLR7 expressed in HEK293 cells assessed as inhibiti... | 28437629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28437629 | 10.1016/j.ejmech.2017.03.086 | Toll-like receptor 9 | 1 |
| 28437629 | 10.1016/j.ejmech.2017.03.086 | Toll-like receptor 7 | 1 |
| 28437629 | 10.1016/j.ejmech.2017.03.086 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine