Compound Detail
CHEMBL1824153
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CC(=O)N[C@H]1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1824153 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BEXVPCAWZZYRPW-SXYSDOLCSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
-3.17
ALogP
8
HBA
8
HBD
215.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.86 | 5.86 | 1390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1390.0 | nM | 5.86 | Inhibition of Staphylococcus aureus Quorum sensing system AgrC-I activation afte... | 20669927 |
| Unchecked | IC50 | = | 1390.0 | nM | 5.86 | Inhibition of Staphylococcus aureus AgrC1 | 23294220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20669927 | 10.1021/jm901742e | Unchecked | 2 |
| 23294220 | 10.1021/jm3014635 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine