Compound Detail
CHEMBL3272432
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3272432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKPRTJBTWLBDOQ-OLVUBZDSSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
2.98
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterococcus faecium CHEMBL357 | IC50 | 4.96 | 4.59 | 11000.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.89 | 4.745 | 13000.0 | 2 |
| Lacticaseibacillus casei CHEMBL613075 | IC50 | 4.39 | 4.355 | 41000.0 | 2 |
| Escherichia coli CHEMBL354 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterococcus faecium | IC50 | = | 11000.0 | nM | 4.96 | Antibacterial activity against sensitive Streptococcus faecium ATCC 8043 assesse... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 13000.0 | nM | 4.89 | Antibacterial activity against chlorguanide triazine-resistant Pediococcus cerev... | 137981 |
| NON-PROTEIN TARGET | IC50 | = | 25000.0 | nM | 4.6 | Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 assesse... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 41000.0 | nM | 4.39 | Antibacterial activity against chlorguanide triazine-resistant Lactobacillus cas... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 48000.0 | nM | 4.32 | Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed ... | 137981 |
| Escherichia coli | IC50 | = | 51000.0 | nM | 4.29 | Antibacterial activity against sensitive Escherichia coli ATCC 10536 assessed as... | 137981 |
| Enterococcus faecium | IC50 | = | 60000.0 | nM | 4.22 | Antibacterial activity against chlorguanide triazine-resistant Streptococcus fae... | 137981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 137981 | 10.1021/jm00212a010 | Lacticaseibacillus casei | 5 |
| 137981 | 10.1021/jm00212a010 | Enterococcus faecium | 4 |
| 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