Compound Detail
CHEMBL3596258
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Basic Information
| ChEMBL ID | CHEMBL3596258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAPJKCNKHLDDAK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
2.33
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase CHEMBL3885618 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase | IC50 | = | 54000.0 | nM | 4.27 | Inhibition of Escherichia coli MraY/MurG | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31136174 | 10.1021/acs.jnatprod.9b00290 | HepG2 | 2 |
| - | 10.1039/C4MD00086B | Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase | 1 |
Data from ChEMBL 36 via Core Engine