Compound Detail
CHEMBL2337986
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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 | CHEMBL2337986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYRCZGYBELHSMY-YAFVTOJUSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1006.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.72 | 7.125 | 19.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19.0 | nM | 7.72 | Inhibition of Staphylococcus aureus AgrC2 | 23294220 |
| Unchecked | IC50 | = | 19.0 | nM | 7.72 | Inhibition of AgrC-2 Staphylococcus aureus SA564 by agr-blaZ reporter gene assay | 31658413 |
| Unchecked | IC50 | = | 295.0 | nM | 6.53 | Inhibition of Staphylococcus aureus AgrC1 | 23294220 |
| Unchecked | IC50 | = | 295.0 | nM | 6.53 | Inhibition of AgrC-1 Staphylococcus aureus RN6390B by agr-blaZ reporter gene ass... | 31658413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23294220 | 10.1021/jm3014635 | Unchecked | 2 |
| 31658413 | 10.1021/acs.jmedchem.9b00798 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine