Compound Detail
CHEMBL2029021
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CC(=O)N[C@@H]1[C@H](O[C@H]2[C@@H](O)[C@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](OP(=O)(O)OC[C@@H](OCCC(C)CCCCC(C)(C)CCC(C)CCC(C)CCCC(C)C)C(=O)O)O[C@@H](C(N)=O)[C@@](C)(O)[C@@H]3OC(N)=O)O[C@H]2CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](C)[C@@H](O[C@@H]2O[C@@H](C(N)=O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2029021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VACSDZYGQLXIBC-FPGZRAFJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1496.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 8.07 | 7.565 | 8.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 8.6 | nM | 8.07 | Compound was evaluated for inhibition of peptidoglycan synthesis in Escherichia ... | 11055331 |
| Escherichia coli | IC50 | = | 87.0 | nM | 7.06 | Compound was evaluated for inhibition of peptidoglycan synthesis in Escherichia ... | 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