Compound Detail
CHEMBL1160166
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O=S(=O)(O)c1cc(Br)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(Br)cc3S(=O)(=O)O)c(O)c2c1O
Basic Information
| ChEMBL ID | CHEMBL1160166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJTJGSDSFNFCRT-NBHCHVEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
846.4
MW (Da)
5.59
ALogP
14
HBA
6
HBD
307.4
PSA (Ų)
0.09
QED
4
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2026 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 80000.0 | nM | 4.1 | Inhibitory activity against beta-lactamase | 11931626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931626 | 10.1021/jm010533y | Beta-lactamase | 3 |
| 11931626 | 10.1021/jm010533y | Chymotrypsin-C | 1 |
Data from ChEMBL 36 via Core Engine