Compound Detail
CHEMBL4647802
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COCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NC[C@H]4O[C@@H]5O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]%11[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@H]5O)O[C@@H]%11CO)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)cc3)c2n1
Basic Information
| ChEMBL ID | CHEMBL4647802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHYQXNHKCYGNLL-JHDBRMJESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1475.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL6085 | EC50 | 6.82 | 6.68 | 153.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 153.0 | nM | 6.82 | Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activ... | 31864800 |
| Toll-like receptor 7 | EC50 | = | 287.0 | nM | 6.54 | Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory a... | 31864800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31864800 | 10.1016/j.bmcl.2019.126840 | Toll-like receptor 7 | 4 |
Data from ChEMBL 36 via Core Engine