Compound Detail
CHEMBL1578341
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Basic Information
| ChEMBL ID | CHEMBL1578341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAZYCJASOMJTGS-MDZDMXLPSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
3.03
ALogP
5
HBA
0
HBD
78.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.57
EC50 3 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 5.57 | 5.57 | 2724.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3014.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.48 | 5.48 | 3332.0 | 1 |
| Large ribosomal subunit protein eL19A CHEMBL1741172 | EC50 | 5.27 | 5.27 | 5356.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.22 | 5.22 | 6084.0 | 1 |
| Ammonium transporter MEP2 CHEMBL1741183 | EC50 | 4.9 | 4.9 | 12710.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.52 | 4.52 | 30467.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 2724.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Unchecked | IC50 | = | 3014.0 | nM | 5.52 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Heat shock factor protein 1 | EC50 | = | 3332.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| Large ribosomal subunit protein eL19A | EC50 | = | 5356.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... | - |
| Toll-like receptor 9 | IC50 | = | 6084.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Ammonium transporter MEP2 | EC50 | = | 12710.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... | - |
| Beta Lactamase | IC50 | = | 30467.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
Data from ChEMBL 36 via Core Engine