Compound Detail
CHEMBL221950
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CC(C)CCOc1c2cc(CCC(=O)NCCN(C)C)cc1Cc1cc(CCC(=O)NCCN(C)C)cc(c1OCCC(C)C)Cc1cc(CCC(=O)NCCN(C)C)cc(c1OCCC(C)C)Cc1cc(CCC(=O)NCCN(C)C)cc(c1OCCC(C)C)C2
Basic Information
| ChEMBL ID | CHEMBL221950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAPYNVRYTSCERN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1273.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Klebsiella pneumoniae CHEMBL350 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Salmonella typhimurium CHEMBL351 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Klebsiella pneumoniae | IC50 | = | 2400.0 | nM | 5.62 | Antibacterial activity against Klebsiella pneumoniae assessed as LPS neutralisat... | 17181157 |
| Salmonella typhimurium | IC50 | = | 3200.0 | nM | 5.5 | Antibacterial activity against Salmonella Typhimurium assessed as LPS neutralisa... | 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