Compound Detail
CHEMBL1649885
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CCCCCCCC[n+]1c(-c2cccc(Br)c2)cn2cccnc21.[O-][Cl+3]([O-])([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL1649885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSNZESWWHIAYRJ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1739634 |
| Active Moiety | CHEMBL1739634 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
5.41
ALogP
2
HBA
0
HBD
21.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Salmonella typhimurium CHEMBL351 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pseudomonas aeruginosa | IC50 | = | 7000.0 | nM | 5.16 | Antibiofilm activity in Pseudomonas aeruginosa assessed as inhibition of biofilm... | 21174477 |
| Salmonella typhimurium | IC50 | = | 7300.0 | nM | 5.14 | Antibiofilm activity in Salmonella Typhimurium ATCC 14028 assessed as inhibition... | 21174477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21174477 | 10.1021/jm1011148 | Salmonella typhimurium | 3 |
| 21174477 | 10.1021/jm1011148 | Pseudomonas aeruginosa | 3 |
Data from ChEMBL 36 via Core Engine