Compound Detail
CHEMBL2148183
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Basic Information
| ChEMBL ID | CHEMBL2148183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXTAOXNYQGASTA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.24
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 4 CHEMBL1795167 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 4 | IC50 | = | 930.0 | nM | 6.03 | Inhibition of TLR4 in LPS-stimulated mouse RAW264.7 cells assessed as reduction ... | 22985959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28051863 | 10.1021/acs.jmedchem.6b01285 | Mus musculus | 3 |
| 23682762 | 10.1021/jm400374q | Unchecked | 2 |
| 22985959 | 10.1016/j.bmc.2012.08.022 | Toll-like receptor 4 | 1 |
| 23682762 | 10.1021/jm400374q | No relevant target | 1 |
| 28051863 | 10.1021/acs.jmedchem.6b01285 | Potassium channel subfamily K member 2 | 1 |
Data from ChEMBL 36 via Core Engine