Compound Detail
CHEMBL1734503
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Basic Information
| ChEMBL ID | CHEMBL1734503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMDQHHLSZSNONR-GOTSBHOMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
3.66
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 6.22 | 6.22 | 597.4 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.24 | 5.24 | 5777.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.76 | 4.76 | 17470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 597.44 | nM | 6.22 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Toll-like receptor 9 | IC50 | = | 5777.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 17470.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
Data from ChEMBL 36 via Core Engine