Compound Detail
CHEMBL5077746
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O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)C1c1ccccc1)c1cc2ccccc2o1
Basic Information
| ChEMBL ID | CHEMBL5077746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GABZBWAMDYUSHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
6.36
ALogP
8
HBA
1
HBD
96.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 22000.0 | nM | 4.66 | 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 | 6 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Unchecked | 4 |
| 34657423 | 10.1021/acs.jmedchem.1c00939 | Vero | 1 |
Data from ChEMBL 36 via Core Engine