Compound Detail
CHEMBL3116316
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Basic Information
| ChEMBL ID | CHEMBL3116316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YITQGEQLNZOFFK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.94
ALogP
7
HBA
1
HBD
92.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 5700.0 | nM | 5.24 | Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP r... | 24383475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24383475 | 10.1021/jm4004957 | TLR7 and TLR8 | 4 |
| 24383475 | 10.1021/jm4004957 | Toll-like receptor 8 | 1 |
| 24383475 | 10.1021/jm4004957 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine