Compound Detail
CHEMBL5086652
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Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)C3c3cccc(O)c3)s2)cc1
Basic Information
| ChEMBL ID | CHEMBL5086652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFLJRQXHFYXVEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
6.37
ALogP
9
HBA
2
HBD
116.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | 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 | 7 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Unchecked | 4 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Vero | 1 |
Data from ChEMBL 36 via Core Engine