Compound Detail
CHEMBL1945693
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CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCNCCOCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL1945693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMFYHRXZNJDRNI-VXPOCZCJSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1140.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.46 | 4.9933 | 350.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 350.0 | nM | 6.46 | Inhibition of protein synthesis using Escherichia coli S30 extracts preincubated... | 24900314 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Escherichia coli topoisomerase 4-mediated relaxation of supercoile... | 24900314 |
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of Escherichia coli DNA gyrase-mediated supercoiling of relaxed pBR32... | 24900314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900314 | 10.1021/ml100253p | Staphylococcus aureus | 5 |
| 24900314 | 10.1021/ml100253p | Streptococcus pyogenes | 4 |
| 24900314 | 10.1021/ml100253p | Streptococcus pneumoniae | 3 |
| 24900314 | 10.1021/ml100253p | Unchecked | 3 |
| 24900314 | 10.1021/ml100253p | Haemophilus influenzae | 1 |
| 24900314 | 10.1021/ml100253p | Moraxella catarrhalis | 1 |
Data from ChEMBL 36 via Core Engine