Compound Detail
CHEMBL1713905
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Basic Information
| ChEMBL ID | CHEMBL1713905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDOKUGZYPCUVEP-RWEWTDSWSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.71
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.66
EC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.66 | 5.66 | 2191.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.27 | 5.27 | 5416.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.22 | 5.125 | 5975.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.05 | 5.05 | 8855.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.95 | 4.95 | 11256.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 4.94 | 4.94 | 11484.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 2191.0 | nM | 5.66 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Toll-like receptor 9 | IC50 | = | 5416.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 5975.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Streptokinase A | EC50 | = | 8855.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Beta Lactamase | IC50 | = | 9238.0 | nM | 5.03 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Streptococcus sp. 'group A' | EC50 | = | 11256.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Beta-lactamase | IC50 | = | 11484.0 | nM | 4.94 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine