Compound Detail
CHEMBL3272425
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Basic Information
| ChEMBL ID | CHEMBL3272425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHGBLYDMIZHBTL-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
321.2
MW (Da)
3.89
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterococcus faecium CHEMBL357 | IC50 | 8.05 | 6.97 | 9.0 | 2 |
| Lacticaseibacillus casei CHEMBL613075 | IC50 | 7.4 | 7.0 | 40.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.92 | 6.385 | 120.0 | 2 |
| Escherichia coli CHEMBL354 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterococcus faecium | IC50 | = | 9.0 | nM | 8.05 | Antibacterial activity against sensitive Streptococcus faecium ATCC 8043 assesse... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 40.0 | nM | 7.4 | Antibacterial activity against chlorguanide triazine-resistant Lactobacillus cas... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 120.0 | nM | 6.92 | Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 assesse... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 250.0 | nM | 6.6 | Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed ... | 137981 |
| Enterococcus faecium | IC50 | = | 1300.0 | nM | 5.89 | Antibacterial activity against chlorguanide triazine-resistant Streptococcus fae... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 1400.0 | nM | 5.85 | Antibacterial activity against chlorguanide triazine-resistant Pediococcus cerev... | 137981 |
| Escherichia coli | IC50 | = | 2000.0 | nM | 5.7 | Antibacterial activity against sensitive Escherichia coli ATCC 10536 assessed as... | 137981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 137981 | 10.1021/jm00212a010 | Enterococcus faecium | 5 |
| 137981 | 10.1021/jm00212a010 | Lacticaseibacillus casei | 5 |
| 137981 | 10.1021/jm00212a010 | NON-PROTEIN TARGET | 4 |
| 137981 | 10.1021/jm00212a010 | Escherichia coli | 2 |
| 137981 | 10.1021/jm00212a010 | Plasmodium berghei | 2 |
| 137981 | 10.1021/jm00212a010 | Unchecked | 1 |
| 319234 | 10.1021/jm00211a020 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine