Compound Detail
CHEMBL406969
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CC(=O)NC1C(OC2C(CO)OC(OC3C(OP(=O)(O)OC[C@@H](OCCC(C)CCCCC(C)(C)CCC(C)CCC(C)CCCC(C)C)C(=O)O)OC(C(N)=O)C(C)(O)C3OC(N)=O)C(NC(C)=O)C2O)OC(C)C(O)C1O
Basic Information
| ChEMBL ID | CHEMBL406969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWWXDXNVNZKQTG-FDFLSTMLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1159.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 7.8 | 7.34 | 16.0 | 2 |
| Enterococcus faecalis CHEMBL362 | IC50 | 4.3 | 4.3 | 50400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 16.0 | nM | 7.8 | Compound was evaluated for inhibition of peptidoglycan synthesis in Escherichia ... | 11055331 |
| Escherichia coli | IC50 | = | 131.0 | nM | 6.88 | Compound was evaluated for inhibition of peptidoglycan synthesis in Escherichia ... | 11055331 |
| Enterococcus faecalis | IC50 | = | 50400.0 | nM | 4.3 | Compound was evaluated for inhibition of peptidoglycan synthesis in Enterococcus... | 11055331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11055331 | 10.1016/s0960-894x(00)00443-1 | Enterococcus faecalis | 5 |
| 11055331 | 10.1016/s0960-894x(00)00443-1 | Escherichia coli | 3 |
| 11055331 | 10.1016/s0960-894x(00)00443-1 | Enterococcus faecium | 3 |
| 11055331 | 10.1016/s0960-894x(00)00443-1 | Staphylococcus aureus | 2 |
| 11055331 | 10.1016/s0960-894x(00)00443-1 | Staphylococcus epidermidis | 2 |
Data from ChEMBL 36 via Core Engine