Compound Detail
CHEMBL573744
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Basic Information
| ChEMBL ID | CHEMBL573744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKODXSIQIJZFFJ-AWEZNQCLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
1.92
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator protein TraR CHEMBL5865 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 4.83 | 4.8167 | 14800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator protein TraR | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Agrobacterium tumefaciens TraR | 19945196 |
| Transcriptional activator protein LasR | IC50 | = | 14800.0 | nM | 4.83 | Inhibition of Pseudomonas aeruginosa LasR | 19945196 |
| Transcriptional activator protein LasR | IC50 | = | 14800.0 | nM | 4.83 | Inhibition of LasR-mediated quorum sensing system in Pseudomonas aeruginosa PAO1 | 37866335 |
| Transcriptional activator protein LasR | IC50 | = | 16100.0 | nM | 4.79 | Antagonist activity at GFP-fused LasR in Pseudomonas aeruginosa PAO-JP2 co-expre... | 29999316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19945196 | 10.1016/j.ejmech.2009.11.004 | Transcriptional activator protein TraR | 1 |
| 19945196 | 10.1016/j.ejmech.2009.11.004 | Transcriptional activator protein LasR | 1 |
| 29999316 | 10.1021/acs.jmedchem.8b00540 | Transcriptional activator protein LasR | 1 |
| 26804741 | 10.1021/acs.jmedchem.5b01698 | Transcriptional activator protein LasR | 1 |
| 37866335 | 10.1016/j.ejmech.2023.115867 | Transcriptional activator protein LasR | 1 |
Data from ChEMBL 36 via Core Engine