Compound Detail
CHEMBL4872256
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Cc1[nH]c(C(=O)N(Cc2ccccc2)c2nc3ccc(NC(=O)C(=O)O)cc3s2)c(Cl)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4872256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVRAENIVOUQQRG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.4
MW (Da)
5.11
ALogP
5
HBA
3
HBD
115.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL2094139 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 5.27 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 43.0 | nM | 7.37 | Inhibition of Escherichia coli DNA gyrase supercoiling using relaxed pNO1 as sub... | 38906068 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of LsrK expressed in Escherichia coli JW5503 harboring plasmid pET-Pl... | 33152241 |
| Unchecked | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of Salmonella typhimurium LsrK expressed in Escherichia coli MET1158 ... | 33152241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33152241 | 10.1021/acs.jmedchem.0c01282 | Unchecked | 2 |
| 38906068 | 10.1016/j.bmc.2024.117798 | DNA gyrase | 1 |
Data from ChEMBL 36 via Core Engine