Compound Detail
CHEMBL1361913
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Basic Information
| ChEMBL ID | CHEMBL1361913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OENCJIAWGLCCKK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
2.35
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 5.56 | 5.56 | 2778.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.99 | 4.99 | 10245.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.81 | 4.81 | 15343.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.63 | 4.63 | 23200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 2778.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Toll-like receptor 9 | IC50 | = | 10245.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 15343.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| C-C chemokine receptor type 6 | IC50 | = | 23200.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine