Compound Detail
CHEMBL3421670
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O=C(CCCN1C(=O)CCC1=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL3421670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNPIHUCSNOCSLE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
597.2
MW (Da)
3.88
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
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator protein LasR CHEMBL1075207 | EC50 | 6.92 | 6.92 | 119.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator protein LasR | EC50 | = | 119.0 | nM | 6.92 | Agonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli BL... | 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