Compound Detail
CHEMBL5086076
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
CCOC(=O)c1c(CN2CCN(C)CC2)n(-c2ccccc2)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL5086076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASVHIXQPSDYYMK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
547.7
MW (Da)
4.63
ALogP
8
HBA
0
HBD
81.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.37 | 4.37 | 42900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 42900.0 | nM | 4.37 | Inhibition of Enterococcus faecalis OG1RF YycG autophosphorylation by Kinase-Glo... | 34657423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Enterococcus faecalis | 29 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Unchecked | 5 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Staphylococcus epidermidis | 2 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Staphylococcus aureus | 2 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Vero | 1 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Enterococcus faecium | 1 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Streptococcus agalactiae | 1 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine