Compound Detail
CHEMBL1865393
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Basic Information
| ChEMBL ID | CHEMBL1865393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NESAYAUVALVXLY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.8
MW (Da)
3.58
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 5.99 | 5.99 | 1034.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.56 | 5.56 | 2775.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.27 | 5.27 | 5375.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 1034.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Toll-like receptor 9 | IC50 | = | 2775.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 5375.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
Data from ChEMBL 36 via Core Engine