Compound Detail
CHEMBL1340895
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Basic Information
| ChEMBL ID | CHEMBL1340895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYTUWWIBPCHWPE-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
5.72
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.41
EC50 2 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 5.41 | 5.41 | 3924.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.26 | 5.26 | 5428.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.99 | 4.99 | 10229.0 | 1 |
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 4.78 | 4.7 | 16700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 3924.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 5428.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| CHO | IC50 | = | 10229.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Endoribonuclease toxin MazF | EC50 | = | 16700.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
| Endoribonuclease toxin MazF | EC50 | = | 24100.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
Data from ChEMBL 36 via Core Engine