Compound Detail
CHEMBL439876
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CC(C)(C)c1cc2c(OCCCCNC(=N)N)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCCNC(=N)N)Cc1cc(C(C)(C)C)cc(c1OCCCCNC(=N)N)Cc1cc(C(C)(C)C)cc(c1OCCCCNC(=N)N)C2
Basic Information
| ChEMBL ID | CHEMBL439876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAXJHONNMJACGU-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1101.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 7.4 | 6.78 | 40.0 | 2 |
| Salmonella typhimurium CHEMBL351 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Klebsiella pneumoniae CHEMBL350 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 40.0 | nM | 7.4 | Antibacterial activity against Escherichia coli 055:B5 assessed as LPS neutralis... | 17181157 |
| Salmonella typhimurium | IC50 | = | 600.0 | nM | 6.22 | Antibacterial activity against Salmonella Typhimurium assessed as LPS neutralisa... | 17181157 |
| Escherichia coli | IC50 | = | 700.0 | nM | 6.16 | Antibacterial activity against Escherichia coli 0111:B4 assessed as LPS neutrali... | 17181157 |
| Klebsiella pneumoniae | IC50 | = | 1000.0 | nM | 6.0 | Antibacterial activity against Klebsiella pneumoniae assessed as LPS neutralisat... | 17181157 |
| Pseudomonas aeruginosa | IC50 | = | 1500.0 | nM | 5.82 | Antibacterial activity against Pseudomonas aeruginosa assessed as LPS neutralisa... | 17181157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181157 | 10.1021/jm0610447 | Mus musculus | 4 |
| 17181157 | 10.1021/jm0610447 | Escherichia coli | 2 |
| 17181157 | 10.1021/jm0610447 | Serratia marcescens | 1 |
| 17181157 | 10.1021/jm0610447 | Klebsiella pneumoniae | 1 |
| 17181157 | 10.1021/jm0610447 | Salmonella typhimurium | 1 |
| 17181157 | 10.1021/jm0610447 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine