Compound Detail
CHEMBL4853223
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CN(C)[C@@H]1CCN(CCCOc2ccc(-c3nc4ccc(OCCCN5CC[C@@H](N(C)C)C5)cc4o3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL4853223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCEDOFGUEOFHMO-CLJLJLNGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.7
MW (Da)
4.30
ALogP
8
HBA
0
HBD
57.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | IC50 | = | 430.0 | nM | 6.37 | Antagonist activity at TLR7 (unknown origin) | 33189437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33189437 | 10.1016/j.ejmech.2020.112978 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine