Compound Detail
CHEMBL1254488
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CCOC(=O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12
Basic Information
| ChEMBL ID | CHEMBL1254488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQLYYENAJNILOX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
676.0
MW (Da)
7.50
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase CHEMBL3885618 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 65.0 | nM | 7.19 | Inhibition of VGLUT in rat synaptic vesicles assessed as [3H]glutamate uptake pr... | 20708942 |
| Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase | IC50 | = | 18400.0 | nM | 4.74 | Inhibition of Escherichia coli MraY/MurG | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20708942 | 10.1016/j.bmc.2010.06.069 | Unchecked | 1 |
| - | 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