Compound Detail
CHEMBL221949
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CCCc1cc2c(OCC(=O)NCCN(C)C)c(c1)Cc1cc(CC(C)C)cc(c1OCC(=O)NCCN(C)C)Cc1cc(CCC)cc(c1OCC(=O)NCCN(C)C)Cc1cc(CC(C)C)cc(c1OCC(=O)NCCN(C)C)C2
Basic Information
| ChEMBL ID | CHEMBL221949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTRMAPYOESVHOU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1133.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Klebsiella pneumoniae CHEMBL350 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Salmonella typhimurium CHEMBL351 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 5.43 | 5.425 | 3700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Klebsiella pneumoniae | IC50 | = | 2100.0 | nM | 5.68 | Antibacterial activity against Klebsiella pneumoniae assessed as LPS neutralisat... | 17181157 |
| Salmonella typhimurium | IC50 | = | 3100.0 | nM | 5.51 | Antibacterial activity against Salmonella Typhimurium assessed as LPS neutralisa... | 17181157 |
| Escherichia coli | IC50 | = | 3700.0 | nM | 5.43 | Antibacterial activity against Escherichia coli 0111:B4 assessed as LPS neutrali... | 17181157 |
| Escherichia coli | IC50 | = | 3800.0 | nM | 5.42 | Antibacterial activity against Escherichia coli 055:B5 assessed as LPS neutralis... | 17181157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181157 | 10.1021/jm0610447 | Escherichia coli | 2 |
| 17181157 | 10.1021/jm0610447 | Serratia marcescens | 1 |
| 17181157 | 10.1021/jm0610447 | Pseudomonas aeruginosa | 1 |
| 17181157 | 10.1021/jm0610447 | Klebsiella pneumoniae | 1 |
| 17181157 | 10.1021/jm0610447 | Salmonella typhimurium | 1 |
Data from ChEMBL 36 via Core Engine