Compound Detail
CHEMBL432044
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Basic Information
| ChEMBL ID | CHEMBL432044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIUJEIYANWQBLO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.42
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 5.4 | 5.4 | 3968.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.38 | 5.38 | 4186.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 3968.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 4186.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18586498 | 10.1016/j.bmc.2008.05.016 | Progesterone receptor | 2 |
| 9464355 | 10.1021/jm970624o | Aminopeptidase N | 1 |
| 9464355 | 10.1021/jm970624o | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine