Compound Detail
CHEMBL72658
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CC(=O)NC1C(OC2C(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)C2OC(N)=O)OC(CO)C(O)C1O
Basic Information
| ChEMBL ID | CHEMBL72658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEMZMFAUKDRGPR-LPLSPFPQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
972.1
MW (Da)
3.62
ALogP
16
HBA
9
HBD
335.4
PSA (Ų)
0.04
QED
3
Ro5 Violations
31
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 7.48 | 7.05 | 33.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 33.0 | nM | 7.48 | Compound was evaluated for inhibition of peptidoglycan synthesis in Escherichia ... | 11055331 |
| Escherichia coli | IC50 | = | 241.0 | nM | 6.62 | 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 | 4 |
| 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 | 1 |
| 11055331 | 10.1016/s0960-894x(00)00443-1 | Staphylococcus epidermidis | 1 |
Data from ChEMBL 36 via Core Engine