Compound Detail
CHEMBL1362746
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Basic Information
| ChEMBL ID | CHEMBL1362746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEHCKGOTERBVPZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
3.69
ALogP
3
HBA
0
HBD
50.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.87 | 5.87 | 1337.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.62 | 5.62 | 2396.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.52 | 5.52 | 3003.4 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.48 | 5.48 | 3319.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 1337.0 | nM | 5.87 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 2396.0 | nM | 5.62 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| G-protein coupled receptor 55 | IC50 | = | 3003.43 | nM | 5.52 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Beta-lactamase | IC50 | = | 3319.0 | nM | 5.48 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine