Compound Detail
CHEMBL3397068
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Basic Information
| ChEMBL ID | CHEMBL3397068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPPXMKKJYNRZBA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.77
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-heptyl-4(1H)-quinolone synthase PqsD CHEMBL3559673 | IC50 | 5.23 | 5.23 | 5900.0 | 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 | = | 5900.0 | nM | 5.23 | Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia c... | 25437621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25437621 | 10.1016/j.ejmech.2014.11.055 | 2-heptyl-4(1H)-quinolone synthase PqsD | 2 |
| 25437621 | 10.1016/j.ejmech.2014.11.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine