Compound Detail
CHEMBL1581298
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Basic Information
| ChEMBL ID | CHEMBL1581298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFFJUODAFLMRLJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.80
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | IC50 | = | 23000.0 | nM | 4.64 | Antagonist activity at TLR7 (unknown origin) | 33189437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31247373 | 10.1016/j.ejmech.2019.06.030 | Toll-like receptor 8 | 1 |
| 31247373 | 10.1016/j.ejmech.2019.06.030 | Toll-like receptor 7 | 1 |
| 33189437 | 10.1016/j.ejmech.2020.112978 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine