Compound Detail
CHEMBL1824154
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CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CCSC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1824154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHUQDOPWGXSRCJ-VJANTYMQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
-1.14
ALogP
8
HBA
6
HBD
173.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.78 | 5.055 | 1680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1680.0 | nM | 5.78 | Inhibition of Staphylococcus aureus Quorum sensing system AgrC-I activation afte... | 20669927 |
| Unchecked | IC50 | = | 47300.0 | nM | 4.33 | Inhibition of Staphylococcus aureus Quorum sensing system AgrC-II activation aft... | 20669927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20669927 | 10.1021/jm901742e | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine