Compound Detail
CHEMBL4100834
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Basic Information
| ChEMBL ID | CHEMBL4100834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUUCWDTTXKQBAS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
6.00
ALogP
6
HBA
0
HBD
51.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 9 CHEMBL5804 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| Toll-like receptor 7 CHEMBL5936 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 9 | IC50 | = | 98.0 | nM | 7.01 | Antagonist activity at human TLR9 expressed in HEK293 cells assessed as inhibiti... | 28437629 |
| Toll-like receptor 7 | IC50 | = | 1140.0 | nM | 5.94 | Antagonist activity at TLR7 (unknown origin) | 33189437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28437629 | 10.1016/j.ejmech.2017.03.086 | Toll-like receptor 9 | 1 |
| 33189437 | 10.1016/j.ejmech.2020.112978 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine