Compound Detail
CHEMBL2009682
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Basic Information
| ChEMBL ID | CHEMBL2009682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBGUSGCVXYLMEC-XKZIYDEJSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
3.08
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.68 | 4.67 | 21000.0 | 2 |
| Lacticaseibacillus casei CHEMBL613075 | IC50 | 4.52 | 4.515 | 30000.0 | 2 |
| Enterococcus faecium CHEMBL357 | IC50 | 4.46 | 4.325 | 35000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 17000.0 | nM | 4.77 | Antibacterial activity against sensitive Escherichia coli ATCC 10536 assessed as... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 21000.0 | nM | 4.68 | Antibacterial activity against chlorguanide triazine-resistant Pediococcus cerev... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 22000.0 | nM | 4.66 | Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 assesse... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 30000.0 | nM | 4.52 | Antibacterial activity against chlorguanide triazine-resistant Lactobacillus cas... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 31000.0 | nM | 4.51 | Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed ... | 137981 |
| Enterococcus faecium | IC50 | = | 35000.0 | nM | 4.46 | Antibacterial activity against chlorguanide triazine-resistant Streptococcus fae... | 137981 |
| Enterococcus faecium | IC50 | = | 64000.0 | nM | 4.19 | Antibacterial activity against sensitive Streptococcus faecium ATCC 8043 assesse... | 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 |
Data from ChEMBL 36 via Core Engine