Compound Detail
CHEMBL1415476
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Basic Information
| ChEMBL ID | CHEMBL1415476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVCLSXSHBDFPLR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
1.80
ALogP
6
HBA
2
HBD
106.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.01 | 5.01 | 9698.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.28 | 4.28 | 52496.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 9698.0 | nM | 5.01 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 52496.0 | nM | 4.28 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine