Compound Detail
CHEMBL3785548
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Basic Information
| ChEMBL ID | CHEMBL3785548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHLKPOQMGQDUEV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.2
MW (Da)
5.26
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.71
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL4082 | IC50 | 5.2 | 5.2 | 6280.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.2 | 5.2 | 6280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 6280.0 | nM | 5.2 | Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation prei... | 26994638 |
| Unchecked | IC50 | = | 6280.0 | nM | 5.2 | Inhibition of bacterial beta-glucuronidase using 4-nitrophenyl beta-D-glucuronop... | 31835168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26994638 | 10.1016/j.bmc.2016.03.020 | Beta-glucuronidase | 1 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Unchecked | 1 |
| 32497961 | 10.1016/j.ejmech.2020.112444 | Unchecked | 1 |
| 32497961 | 10.1016/j.ejmech.2020.112444 | Staphylococcus aureus | 1 |
| 32497961 | 10.1016/j.ejmech.2020.112444 | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine