Compound Detail
CHEMBL193493
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Basic Information
| ChEMBL ID | CHEMBL193493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYTRITJAZOPLCZ-BYPYZUCNSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
132.1
MW (Da)
-1.50
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.5
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autoinducer 2-binding periplasmic protein LuxP CHEMBL6100 | EC50 | 7.5 | 7.1467 | 32.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 7.36 | 6.44 | 44.0 | 2 |
| Vibrio harveyi CHEMBL613174 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autoinducer 2-binding periplasmic protein LuxP | EC50 | = | 32.0 | nM | 7.5 | Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decr... | 22137598 |
| Unchecked | EC50 | = | 44.0 | nM | 7.36 | Effective concentration to induce a quorum signal in Vibrio harveyi(by binding L... | 15837332 |
| Autoinducer 2-binding periplasmic protein LuxP | EC50 | = | 76.0 | nM | 7.12 | Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of b... | 22137598 |
| Autoinducer 2-binding periplasmic protein LuxP | EC50 | = | 150.0 | nM | 6.82 | Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoindu... | 19394822 |
| Vibrio harveyi | IC50 | = | 2600.0 | nM | 5.58 | Induction of bioluminescence in Vibrio harveyi after 4 hrs by beta-Gal reporter ... | 17169556 |
| Unchecked | EC50 | = | 3000.0 | nM | 5.52 | Inhibition of autoinducer-stimulated quorum sensing regulated bioluminescence in... | 20669927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22137598 | 10.1016/j.bmc.2011.11.007 | Autoinducer 2-binding periplasmic protein LuxP | 3 |
| 19394822 | 10.1016/j.bmcl.2009.03.163 | Autoinducer 2-binding periplasmic protein LuxP | 2 |
| 21216605 | 10.1016/j.bmc.2010.12.036 | Autoinducer 2-binding periplasmic protein LuxP | 2 |
| 15837332 | 10.1016/j.bmcl.2005.02.069 | Unchecked | 1 |
| 17169556 | 10.1016/j.bmcl.2006.11.076 | Vibrio harveyi | 1 |
| 17169556 | 10.1016/j.bmcl.2006.11.076 | Bacillus cereus | 1 |
| 19394822 | 10.1016/j.bmcl.2009.03.163 | Pseudomonas aeruginosa | 1 |
| 20307979 | 10.1016/j.bmcl.2010.02.064 | Autoinducer 2-binding periplasmic protein LuxP | 1 |
| 21216605 | 10.1016/j.bmc.2010.12.036 | Unchecked | 1 |
| 20669927 | 10.1021/jm901742e | Unchecked | 1 |
| 22137598 | 10.1016/j.bmc.2011.11.007 | Vibrio harveyi | 1 |
Data from ChEMBL 36 via Core Engine