Compound Detail
CHEMBL284013
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Basic Information
| ChEMBL ID | CHEMBL284013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJHZEXKOLNBMAE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
0.93
ALogP
9
HBA
5
HBD
201.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterococcus faecium CHEMBL357 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Lacticaseibacillus casei CHEMBL613075 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterococcus faecium | IC50 | = | 120.0 | nM | 6.92 | Inhibition of the growth of Streptococcus faecium | 2498518 |
| Lacticaseibacillus casei | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of the growth of Lactobacillus casei | 2498518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2498518 | 10.1021/jm00126a022 | Trifunctional purine biosynthetic protein adenosine-3 | 2 |
| 2498518 | 10.1021/jm00126a022 | Enterococcus faecium | 1 |
| 2498518 | 10.1021/jm00126a022 | Lacticaseibacillus casei | 1 |
Data from ChEMBL 36 via Core Engine