Compound Detail
CHEMBL5204803
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Cc1cs/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1-c1ccc(S(N)(=O)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5204803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSAGPRLVSMRHGK-JZJYNLBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.9
MW (Da)
2.80
ALogP
7
HBA
1
HBD
137.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 58.0 | nM | 7.24 | Inhibition of jack bean urease | 35305460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35305460 | 10.1016/j.ejmech.2022.114273 | Urease | 1 |
Data from ChEMBL 36 via Core Engine