Compound Detail
CHEMBL1993431
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Basic Information
| ChEMBL ID | CHEMBL1993431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJHFHFMKDNYWHI-DUXPYHPUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.1
MW (Da)
5.35
ALogP
4
HBA
2
HBD
62.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.12 | 5.12 | 7680.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.11 | 5.11 | 7794.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.95 | 4.95 | 11173.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 195.0 | nM | 6.71 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Beta Lactamase | IC50 | = | 7680.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| CHO | IC50 | = | 7794.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Toll-like receptor 9 | IC50 | = | 11173.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine