Compound Detail
CHEMBL4536222
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O=[N+]([O-])c1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL4536222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSJUEOHQWAHJHS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
3.23
ALogP
7
HBA
1
HBD
144.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacterial urease CHEMBL2364683 | IC50 | 4.16 | 4.16 | 68990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacterial urease | IC50 | = | 68990.0 | nM | 4.16 | Inhibition of bacterial urease using urea as substrate preincubated for 15 mins ... | 30738655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30738655 | 10.1016/j.bmc.2019.01.043 | Bacterial urease | 1 |
Data from ChEMBL 36 via Core Engine