Compound Detail
CHEMBL3272431
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Basic Information
| ChEMBL ID | CHEMBL3272431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEHHYSRGQSXGGN-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
0.61
ALogP
4
HBA
4
HBD
134.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 83000.0 | nM | 4.08 | Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 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 | Plasmodium berghei | 2 |
| 137981 | 10.1021/jm00212a010 | Unchecked | 1 |
| 137981 | 10.1021/jm00212a010 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine