Compound Detail
CHEMBL1586067
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Basic Information
| ChEMBL ID | CHEMBL1586067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZAAGXXNSDUWGE-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.34
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.74
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.74 | 5.74 | 1830.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.28 | 5.28 | 5239.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.27 | 5.27 | 5406.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.26 | 5.26 | 5538.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 1830.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Beta Lactamase | IC50 | = | 5239.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 5406.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Unchecked | EC50 | = | 5538.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
Data from ChEMBL 36 via Core Engine