Compound Detail
CHEMBL4637769
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Basic Information
| ChEMBL ID | CHEMBL4637769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATISKRYGYNSRNP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
0.47
ALogP
8
HBA
3
HBD
145.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL6085 | EC50 | 6.6 | 6.0775 | 252.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 252.0 | nM | 6.6 | Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory a... | 31864800 |
| Toll-like receptor 7 | EC50 | = | 434.0 | nM | 6.36 | Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activ... | 31864800 |
| Toll-like receptor 7 | EC50 | = | 2110.0 | nM | 5.68 | Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory a... | 31864800 |
| Toll-like receptor 7 | EC50 | = | 2150.0 | nM | 5.67 | 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 | 6 |
| 30351939 | 10.1021/acs.jmedchem.8b00960 | Bone marrow cell | 2 |
| 30351939 | 10.1021/acs.jmedchem.8b00960 | CD4+ve Th | 1 |
Data from ChEMBL 36 via Core Engine