Compound Detail
CHEMBL254710
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Basic Information
| ChEMBL ID | CHEMBL254710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGZHEOWNTDJLAQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
154.1
MW (Da)
0.62
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
EC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Autoinducer 2-binding periplasmic protein LuxP CHEMBL6100 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 4.81 | 4.81 | 15350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 6000.0 | nM | 5.22 | Antioxidant activity assessed as DPPH free radical scavenging activity after 60 ... | 24803365 |
| Autoinducer 2-binding periplasmic protein LuxP | IC50 | = | 12000.0 | nM | 4.92 | Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibiti... | 18262415 |
| No relevant target | EC50 | = | 15350.0 | nM | 4.81 | Antioxidant activity assessed as DPPH free radical scavenging activity incubated... | 25752525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25752525 | 10.1016/j.ejmech.2015.02.037 | No relevant target | 3 |
| 24803365 | 10.1016/j.bmcl.2014.04.026 | NON-PROTEIN TARGET | 2 |
| 18262415 | 10.1016/j.bmcl.2008.01.081 | Autoinducer 2-binding periplasmic protein LuxP | 1 |
| 18262415 | 10.1016/j.bmcl.2008.01.081 | Vibrio harveyi | 1 |
| 24803365 | 10.1016/j.bmcl.2014.04.026 | Radical scavenging activity | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | Unchecked | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | A549 | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | NON-PROTEIN TARGET | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | SW1573 | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | HeLa | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | T47D | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | WiDr | 1 |
Data from ChEMBL 36 via Core Engine