Compound Detail
CHEMBL1370844
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Basic Information
| ChEMBL ID | CHEMBL1370844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQOKZDUUBVGFAK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
5.06
ALogP
3
HBA
0
HBD
46.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.2
EC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.2 | 5.2 | 6257.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.16 | 5.16 | 6941.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | EC50 | 4.61 | 4.61 | 24300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 9 | IC50 | = | 6257.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 6941.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Ephrin type-A receptor 4 | IC50 | = | 10800.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | EC50 | = | 24300.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ago... | - |
Data from ChEMBL 36 via Core Engine