Compound Detail
CHEMBL1760442
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Basic Information
| ChEMBL ID | CHEMBL1760442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGKQCHDJEQYXAB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
1.47
ALogP
6
HBA
2
HBD
102.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 6.45 | 6.45 | 352.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 352.0 | nM | 6.45 | Agonist activity at Toll-like receptor 7 | 21419626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21419626 | 10.1016/j.bmcl.2011.02.092 | No relevant target | 2 |
| 21419626 | 10.1016/j.bmcl.2011.02.092 | Liver microsomes | 2 |
| 21419626 | 10.1016/j.bmcl.2011.02.092 | Toll-like receptor 7 | 1 |
| 21419626 | 10.1016/j.bmcl.2011.02.092 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine