Compound Detail
CHEMBL1342053
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Basic Information
| ChEMBL ID | CHEMBL1342053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIUNXRLMZHVJPJ-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
252.7
MW (Da)
2.58
ALogP
4
HBA
0
HBD
65.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.99
EC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 5.99 | 5.99 | 1032.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.72 | 5.27 | 1889.0 | 2 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.65 | 5.65 | 2221.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.49 | 5.49 | 3220.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.54 | 4.54 | 28626.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 1032.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Unchecked | EC50 | = | 1889.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Type-1 angiotensin II receptor | IC50 | = | 2221.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| Toll-like receptor 9 | IC50 | = | 3220.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Unchecked | EC50 | = | 15038.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Beta Lactamase | IC50 | = | 28626.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
Data from ChEMBL 36 via Core Engine