Compound Detail
CHEMBL369485
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Basic Information
| ChEMBL ID | CHEMBL369485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWRBVBFLFQKBPT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
153.1
MW (Da)
1.09
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-heptyl-4(1H)-quinolone synthase PqsD CHEMBL3559673 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-heptyl-4(1H)-quinolone synthase PqsD | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of recombinant His6-tagged Pseudomonas aeruginosa PqsD expressed in E... | 25874327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7190617 | 10.1021/jm00182a027 | EMT6 | 2 |
| 7190617 | 10.1021/jm00182a027 | Unchecked | 1 |
| 25874327 | 10.1016/j.ejmech.2015.04.007 | 2-heptyl-4(1H)-quinolone synthase PqsD | 1 |
Data from ChEMBL 36 via Core Engine