Compound Detail
CHEMBL5274935
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Basic Information
| ChEMBL ID | CHEMBL5274935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKYGVDYQMIWYES-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
4.22
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.06
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus epidermidis CHEMBL353 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Bacillus subtilis CHEMBL359 | EC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus epidermidis | IC50 | = | 7900.0 | nM | 5.1 | Antibacterial activity against Staphylococcus epidermidis ATCC 35984 assessed as... | 34802242 |
| Bacillus subtilis | EC50 | = | 8700.0 | nM | 5.06 | Antibacterial activity against Bacillus subtilis NBRC/ATCC 111470 assessed as re... | 34802242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34802242 | 10.1021/acs.jnatprod.1c00811 | Bacillus subtilis | 2 |
| 34802242 | 10.1021/acs.jnatprod.1c00811 | Staphylococcus epidermidis | 2 |
| 34802242 | 10.1021/acs.jnatprod.1c00811 | Escherichia coli | 2 |
| 34802242 | 10.1021/acs.jnatprod.1c00811 | Pectobacterium carotovorum | 2 |
| 34802242 | 10.1021/acs.jnatprod.1c00811 | Enterococcus raffinosus | 1 |
| 34802242 | 10.1021/acs.jnatprod.1c00811 | Pseudomonas putida | 1 |
| 34802242 | 10.1021/acs.jnatprod.1c00811 | MCF7 | 1 |
| 34802242 | 10.1021/acs.jnatprod.1c00811 | Paraburkholderia caledonica | 1 |
Data from ChEMBL 36 via Core Engine