Compound Detail
CHEMBL539143
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Basic Information
| ChEMBL ID | CHEMBL539143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLUKMEKUMCWYIB-ZETCQYMHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
-0.33
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autoinducer 2-binding periplasmic protein LuxP CHEMBL6100 | EC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autoinducer 2-binding periplasmic protein LuxP | EC50 | = | 1010.0 | nM | 6.0 | Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoindu... | 19394822 |
| Unchecked | IC50 | = | 5040.0 | nM | 5.3 | Inhibition of quorum sensing Salmonella Typhimurium by beta-galactosidase transc... | 20669927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19394822 | 10.1016/j.bmcl.2009.03.163 | Unchecked | 4 |
| 19394822 | 10.1016/j.bmcl.2009.03.163 | Autoinducer 2-binding periplasmic protein LuxP | 2 |
| 20669927 | 10.1021/jm901742e | Unchecked | 2 |
| 19394822 | 10.1016/j.bmcl.2009.03.163 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine