Compound Detail
CHEMBL1500251
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Basic Information
| ChEMBL ID | CHEMBL1500251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQCZGIQILFZTOZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.80
ALogP
4
HBA
2
HBD
89.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 4.77 | 4.77 | 16814.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.58 | 4.58 | 26152.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 4.51 | 4.51 | 31047.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 16814.0 | nM | 4.77 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 26152.0 | nM | 4.58 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 31047.0 | nM | 4.51 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine