Compound Detail
CHEMBL4877532
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Basic Information
| ChEMBL ID | CHEMBL4877532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZIPLVKSJWHCHD-LLVKDONJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.1
MW (Da)
3.02
ALogP
4
HBA
3
HBD
103.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.77 | 4.44 | 17000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of LsrK expressed in Escherichia coli JW5503 harboring plasmid pET-Pl... | 33152241 |
| Unchecked | IC50 | = | 78000.0 | nM | 4.11 | 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 |
Data from ChEMBL 36 via Core Engine