Compound Detail
CHEMBL1413510
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Basic Information
| ChEMBL ID | CHEMBL1413510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRQSPGSEYDLAIM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
3.22
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.36 | 5.36 | 4405.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.96 | 4.96 | 10854.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 4.89 | 4.89 | 12722.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 4405.0 | nM | 5.36 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 10854.0 | nM | 4.96 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 12722.0 | nM | 4.89 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine