Compound Detail
CHEMBL254077
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Basic Information
| ChEMBL ID | CHEMBL254077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRPNQSVBEWWHIJ-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
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 7 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.85 | 5.49 | 141.2 | 5 |
| Autoinducer 2-binding periplasmic protein LuxP CHEMBL6100 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 141.18 | nM | 6.85 | PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... | - |
| Autoinducer 2-binding periplasmic protein LuxP | IC50 | = | 4000.0 | nM | 5.4 | Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibiti... | 18262415 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of quorum sensing regulated bioluminescence in Vibrio harveyi | 20669927 |
| Unchecked | IC50 | = | 6232.26 | nM | 5.21 | PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... | - |
| Unchecked | IC50 | = | 9083.7 | nM | 5.04 | PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... | - |
| Unchecked | IC50 | = | 11331.9 | nM | 4.95 | PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Radical scavenging activity | IC50 | = | 11600.0 | nM | 4.94 | Antioxidant activity assessed as DPPH free radical scavenging activity after 60 ... | 24803365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 20669927 | 10.1021/jm901742e | Unchecked | 1 |
| 24803365 | 10.1016/j.bmcl.2014.04.026 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine