Compound Detail
CHEMBL4641364
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Basic Information
| ChEMBL ID | CHEMBL4641364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJYWKCAYIFMQSQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.34
ALogP
4
HBA
3
HBD
77.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.55
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL3217380 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
| Beta-glucuronidase CHEMBL2728 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | EC50 | = | 28.0 | nM | 7.55 | Inhibition of Escherichia coli beta-glucuronidase using p-nitrophenyl-beta-D-glu... | 31835168 |
| Beta-glucuronidase | IC50 | = | 370.0 | nM | 6.43 | Inhibition of beta-glucuronidase (unknown origin) | 31835168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 3 |
Data from ChEMBL 36 via Core Engine