Compound Detail
CHEMBL5573956
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
O=C(CNC(=O)OCc1ccccc1)NCC(=O)Oc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5573956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTHQSIAJTRVZTG-QPJJXVBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
0.94
ALogP
8
HBA
4
HBD
169.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sortase A CHEMBL5362 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sortase A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of Staphylococcus aureus sortase A N24 deletion mutant using Abz-LPAT... | 38170998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38170998 | 10.1021/acs.jmedchem.3c01615 | Sortase A | 1 |
| 38170998 | 10.1021/acs.jmedchem.3c01615 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine