Compound Detail
CHEMBL1430995
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Basic Information
| ChEMBL ID | CHEMBL1430995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKALWHIBQTXTMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.72
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 5.34 | 5.34 | 4592.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.1 | 5.1 | 7911.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 4592.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 7911.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine