Compound Detail
CHEMBL1824152
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)N[C@H]1CSC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)CCCCNC1=O
Basic Information
| ChEMBL ID | CHEMBL1824152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASNLGIUBHGPVJK-ACRUOGEOSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
1.31
ALogP
6
HBA
4
HBD
133.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.94 | 5.3525 | 1141.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1141.0 | nM | 5.94 | Inhibition of Staphylococcus aureus Quorum sensing system AgrC-I activation afte... | 20669927 |
| Unchecked | IC50 | = | 1141.0 | nM | 5.94 | Inhibition of Staphylococcus aureus AgrC1 | 23294220 |
| Unchecked | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of Staphylococcus aureus Quorum sensing system AgrC-II activation aft... | 20669927 |
| Unchecked | IC50 | = | 50700.0 | nM | 4.29 | Inhibition of Staphylococcus aureus AgrC2 | 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