Compound Detail
CHEMBL31695
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Basic Information
| ChEMBL ID | CHEMBL31695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXPOBYSADIUOQY-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
5.43
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lacticaseibacillus casei CHEMBL613075 | IC50 | 5.3 | 5.11 | 5000.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.19 | 5.14 | 6500.0 | 2 |
| Escherichia coli CHEMBL354 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Enterococcus faecium CHEMBL357 | IC50 | 4.51 | 4.36 | 31000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lacticaseibacillus casei | IC50 | = | 5000.0 | nM | 5.3 | Antibacterial activity against chlorguanide triazine-resistant Lactobacillus cas... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 6500.0 | nM | 5.19 | Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 assesse... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 8200.0 | nM | 5.09 | Antibacterial activity against chlorguanide triazine-resistant Pediococcus cerev... | 137981 |
| Escherichia coli | IC50 | = | 11000.0 | nM | 4.96 | Antibacterial activity against sensitive Escherichia coli ATCC 10536 assessed as... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 12000.0 | nM | 4.92 | Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed ... | 137981 |
| Enterococcus faecium | IC50 | = | 31000.0 | nM | 4.51 | Antibacterial activity against sensitive Streptococcus faecium ATCC 8043 assesse... | 137981 |
| Enterococcus faecium | IC50 | = | 61000.0 | nM | 4.21 | Antibacterial activity against chlorguanide triazine-resistant Streptococcus fae... | 137981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7009867 | 10.1021/jm00134a002 | Plasmodium berghei | 7 |
| 137981 | 10.1021/jm00212a010 | Enterococcus faecium | 4 |
| 137981 | 10.1021/jm00212a010 | Lacticaseibacillus casei | 4 |
| 137981 | 10.1021/jm00212a010 | NON-PROTEIN TARGET | 3 |
| 137981 | 10.1021/jm00212a010 | Escherichia coli | 2 |
| 7009867 | 10.1021/jm00134a002 | Mus musculus | 1 |
| 7009867 | 10.1021/jm00134a002 | NON-PROTEIN TARGET | 1 |
| 137981 | 10.1021/jm00212a010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine