Compound Detail
CHEMBL5272623
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Basic Information
| ChEMBL ID | CHEMBL5272623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNVBZOAKPJVPRU-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
4.78
ALogP
8
HBA
1
HBD
95.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.6 | 5.6 | 2500.0 | 2 |
| Escherichia coli CHEMBL354 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Bacillus subtilis CHEMBL359 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Raoultella planticola CHEMBL613271 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Micrococcus luteus CHEMBL614421 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Micrococcus luteus | IC50 | = | 2500.0 | nM | 5.6 | Antibiofilm activity against Micrococcus luteus MTCC 2470 assessed as inhibition... | 35694689 |
| Staphylococcus aureus | IC50 | = | 2500.0 | nM | 5.6 | Antibiofilm activity against Staphylococcus aureus MTCC 96 assessed as inhibitio... | 35694689 |
| Staphylococcus aureus | IC50 | = | 2500.0 | nM | 5.6 | Antibiofilm activity against Staphylococcus aureus MLS-16 MTCC 2940 assessed as ... | 35694689 |
| Bacillus subtilis | IC50 | = | 2500.0 | nM | 5.6 | Antibiofilm activity against Bacillus subtilis MTCC 121 assessed as inhibition o... | 35694689 |
| Escherichia coli | IC50 | = | 2500.0 | nM | 5.6 | Antibiofilm activity against Escherichia coli MTCC 739 assessed as inhibition of... | 35694689 |
| Raoultella planticola | IC50 | = | 2500.0 | nM | 5.6 | Antibiofilm activity against Raoultella planticola MTCC 530 assessed as inhibiti... | 35694689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35694689 | 10.1039/d2md00076h | Staphylococcus aureus | 6 |
| 35694689 | 10.1039/d2md00076h | Candida albicans | 4 |
| 35694689 | 10.1039/d2md00076h | Micrococcus luteus | 3 |
| 35694689 | 10.1039/d2md00076h | Bacillus subtilis | 3 |
| 35694689 | 10.1039/d2md00076h | Escherichia coli | 3 |
| 35694689 | 10.1039/d2md00076h | Raoultella planticola | 3 |
| 35694689 | 10.1039/d2md00076h | Candida parapsilosis | 1 |
| 35694689 | 10.1039/d2md00076h | Nakaseomyces glabratus | 1 |
| 35694689 | 10.1039/d2md00076h | Pichia kudriavzevii | 1 |
| 35694689 | 10.1039/d2md00076h | Pichia sporocuriosa | 1 |
Data from ChEMBL 36 via Core Engine