Compound Detail
CHEMBL4454839
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Basic Information
| ChEMBL ID | CHEMBL4454839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHUIFWZERLHEDK-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
1.90
ALogP
7
HBA
1
HBD
83.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 2 CHEMBL1075106 | IC50 | 4.31 | 4.31 | 49280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 2 | IC50 | = | 49280.0 | nM | 4.31 | Antagonist activity at TLR2 in mouse RAW264.7 cells assessed as PAM3CSK4-induced... | 31255924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31255924 | 10.1016/j.ejmech.2019.06.059 | Toll-like receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine