Compound Detail
CHEMBL3421667
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O=C(Cc1cc(Br)cc(Br)c1OC(=O)CCCN1C(=O)C=CC1=O)Nc1ccccc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL3421667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUTZTHFBHHMXBH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
595.2
MW (Da)
3.91
ALogP
7
HBA
1
HBD
135.9
PSA (Ų)
0.15
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.11 | 4.11 | 78100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 78100.0 | nM | 4.11 | Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli... | 25699144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25699144 | 10.1021/ml500459f | Transcriptional activator protein LasR | 1 |
| 25699144 | 10.1021/ml500459f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine