Compound Detail
CHEMBL1939889
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Basic Information
| ChEMBL ID | CHEMBL1939889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIPDLMFOMKZWOH-WVZVXSGGSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
146.1
MW (Da)
-1.11
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.85
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autoinducer 2-binding periplasmic protein LuxP CHEMBL6100 | EC50 | 6.85 | 6.52 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autoinducer 2-binding periplasmic protein LuxP | EC50 | = | 140.0 | nM | 6.85 | Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decr... | 22137598 |
| Autoinducer 2-binding periplasmic protein LuxP | EC50 | = | 650.0 | nM | 6.19 | Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of b... | 22137598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22137598 | 10.1016/j.bmc.2011.11.007 | Autoinducer 2-binding periplasmic protein LuxP | 4 |
| 22137598 | 10.1016/j.bmc.2011.11.007 | Unchecked | 3 |
| 22137598 | 10.1016/j.bmc.2011.11.007 | Vibrio harveyi | 1 |
Data from ChEMBL 36 via Core Engine