Compound Detail
CHEMBL4642130
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Basic Information
| ChEMBL ID | CHEMBL4642130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRMHUPGGBTUUTH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
1.49
ALogP
8
HBA
1
HBD
66.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.28 | 6.72 | 53.0 | 2 |
| Beta-glucuronidase CHEMBL3217380 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 53.0 | nM | 7.28 | Inhibition of Clostridium perfringens beta-glucuronidase | 31835168 |
| Beta-glucuronidase | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Escherichia coli beta-glucuronidase | 31835168 |
| Unchecked | IC50 | = | 690.0 | nM | 6.16 | Inhibition of Staphylococcus aureus beta-glucuronidase | 31835168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31835168 | 10.1016/j.ejmech.2019.111921 | Unchecked | 2 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 1 |
Data from ChEMBL 36 via Core Engine