Compound Detail
CHEMBL3740058
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CCC/C=C\c1ccccc1/C=C/C(=O)N[C@@H]1C(=O)N(C)/C(=C/c2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL3740058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVVWVQZZLUNSNV-QMXPZCTJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1037.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Accessory gene regulator protein A CHEMBL1681616 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Accessory gene regulator protein A | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of agr-mediated quorum sensing in Staphylococcus aureus after 5 hrs b... | 26575343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26575343 | 10.1021/acs.jnatprod.5b00540 | Accessory gene regulator protein A | 1 |
Data from ChEMBL 36 via Core Engine