Compound Detail
CHEMBL5277862
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Basic Information
| ChEMBL ID | CHEMBL5277862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWDRVQJMYXYURX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.8
MW (Da)
3.68
ALogP
6
HBA
2
HBD
111.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.62 | 6.62 | 237.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 237.0 | nM | 6.62 | Inhibition of Escherichia coli topoisomerase 4 assessed as reduction in decatena... | 35694689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35694689 | 10.1039/d2md00076h | Streptococcus pneumoniae | 2 |
| 35694689 | 10.1039/d2md00076h | Staphylococcus aureus | 1 |
| 35694689 | 10.1039/d2md00076h | Aspergillus fumigatus | 1 |
| 35694689 | 10.1039/d2md00076h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine