Compound Detail
CHEMBL1992508
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Basic Information
| ChEMBL ID | CHEMBL1992508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXCOXYQKWSWCGG-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
1.14
ALogP
7
HBA
3
HBD
129.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterococcus faecium CHEMBL357 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Lacticaseibacillus casei CHEMBL613075 | IC50 | 5.72 | 4.945 | 1900.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.07 | 4.715 | 8500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterococcus faecium | IC50 | = | 1100.0 | nM | 5.96 | Antibacterial activity against sensitive Streptococcus faecium ATCC 8043 assesse... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 1900.0 | nM | 5.72 | Antibacterial activity against chlorguanide triazine-resistant Lactobacillus cas... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 8500.0 | nM | 5.07 | Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 assesse... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 44000.0 | nM | 4.36 | Antibacterial activity against chlorguanide triazine-resistant Pediococcus cerev... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 68000.0 | nM | 4.17 | Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed ... | 137981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 137981 | 10.1021/jm00212a010 | Plasmodium berghei | 2 |
| 137981 | 10.1021/jm00212a010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine