Compound Detail
CHEMBL5082462
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
COc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL5082462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWFKBEYTFLQWEP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
606.1
MW (Da)
6.73
ALogP
10
HBA
2
HBD
126.0
PSA (Ų)
0.11
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Sensor protein kinase WalK CHEMBL4295968 | IC50 | 4.34 | 4.34 | 46100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of Enterococcus faecalis OG1RF YycG autophosphorylation by Kinase-Glo... | 34657423 |
| Sensor protein kinase WalK | IC50 | = | 46100.0 | nM | 4.34 | Inhibition of Staphylococcus aureus YycG expressed in Escherichia coli preincuba... | 39208742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Enterococcus faecalis | 17 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Unchecked | 5 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Staphylococcus epidermidis | 3 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Staphylococcus aureus | 3 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Enterococcus faecium | 2 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Streptococcus agalactiae | 2 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Vero | 1 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Escherichia coli | 1 |
| 39208742 | 10.1016/j.ejmech.2024.116770 | Staphylococcus epidermidis | 1 |
| 39208742 | 10.1016/j.ejmech.2024.116770 | Staphylococcus aureus | 1 |
| 39208742 | 10.1016/j.ejmech.2024.116770 | Enterococcus faecalis | 1 |
| 39208742 | 10.1016/j.ejmech.2024.116770 | Enterococcus faecium | 1 |
| 39208742 | 10.1016/j.ejmech.2024.116770 | LX-2 | 1 |
| 39208742 | 10.1016/j.ejmech.2024.116770 | Erythrocyte | 1 |
| 39208742 | 10.1016/j.ejmech.2024.116770 | Sensor protein kinase WalK | 1 |
Data from ChEMBL 36 via Core Engine