Compound Detail
CHEMBL3085536
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CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCCOc2ccc(Cc3ccccc3)cc2)[C@@H](C)O)CSC(=O)[C@H](CCSC)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3085536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYRCZGYBELHSMY-ANJYFKMSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1006.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-histidine kinase AgrC CHEMBL4726 | IC50 | 7.72 | 7.125 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-histidine kinase AgrC | IC50 | = | 19.0 | nM | 7.72 | Concentration required to inhibit quorum sensor of Staphylococcus aureus | 15341477 |
| Receptor-histidine kinase AgrC | IC50 | = | 295.0 | nM | 6.53 | Concentration required to inhibit quorum sensor of Staphylococcus aureus | 15341477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341477 | 10.1021/jm0400754 | Receptor-histidine kinase AgrC | 2 |
Data from ChEMBL 36 via Core Engine