Compound Detail
CHEMBL3955713
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COc1c(N2C[C@@H]3CCCN(CCCCCCCCCCCCO[C@@H]4[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](N)[C@H]5O)[C@H](N)C[C@H](N)[C@H]4O[C@H]4O[C@H](CN)[C@@H](O)C[C@H]4N)[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl.Cl.Cl.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL3955713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWCGJRWDHOVHJB-HRMAIHQQSA-N |
| Parent Compound | CHEMBL3990476 |
| Active Moiety | CHEMBL3990476 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
1035.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 4.795 | 4700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of circular DNA translation in Escherichia coli S30 extract after 60 ... | 27524179 |
| Unchecked | IC50 | = | 54700.0 | nM | 4.26 | Inhibition of Pseudomonas aeruginosa DNA gyrase A assessed as inhibition of DNA ... | 27524179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Pseudomonas aeruginosa | 75 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Escherichia coli | 20 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Acinetobacter baumannii | 4 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | NON-PROTEIN TARGET | 4 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Unchecked | 3 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Staphylococcus aureus | 2 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Staphylococcus epidermidis | 2 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Enterococcus faecalis | 1 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Enterococcus faecium | 1 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Streptococcus pneumoniae | 1 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Stenotrophomonas maltophilia | 1 |
| 27524179 | 10.1021/acs.jmedchem.6b00867 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine