Compound Detail
CHEMBL2003304
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Basic Information
| ChEMBL ID | CHEMBL2003304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXWNAKAKRLXDQK-JZJYNLBNSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.48
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.44
EC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.44 | 5.44 | 3646.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.42 | 5.42 | 3790.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.31 | 5.31 | 4927.0 | 1 |
| 14-3-3 protein gamma CHEMBL1293296 | IC50 | 5.14 | 5.14 | 7294.5 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.1 | 5.1 | 8007.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 3646.0 | nM | 5.44 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Unchecked | EC50 | = | 3790.0 | nM | 5.42 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Beta Lactamase | IC50 | = | 4927.0 | nM | 5.31 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| 14-3-3 protein gamma | IC50 | = | 7294.5 | nM | 5.14 | PUBCHEM_BIOASSAY: 14-3-3 protein interaction modulators Dose Response Confirmati... | - |
| Beta-lactamase | IC50 | = | 8007.0 | nM | 5.1 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine