Compound Detail
CHEMBL2005437
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Basic Information
| ChEMBL ID | CHEMBL2005437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPRCLMXVEWFNQU-JJFYIABZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.46
ALogP
6
HBA
1
HBD
85.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.41 | 5.41 | 3914.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.39 | 5.39 | 4044.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 9 | IC50 | = | 3914.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 4044.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
Data from ChEMBL 36 via Core Engine