Compound Detail
CHEMBL4635113
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Basic Information
| ChEMBL ID | CHEMBL4635113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAAVQYDOVJQDFZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.1
MW (Da)
5.24
ALogP
6
HBA
2
HBD
70.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL2728 | IC50 | 7.7 | 7.375 | 20.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of beta-glucuronidase (unknown origin) | 31835168 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of N terminal His6-tagged Escherichia coli BL21(DE3) beta-glucuronida... | 31835168 |
| Beta-glucuronidase | IC50 | = | 90.0 | nM | 7.05 | β-Glucuronidase Activity Assay: The β-glucuronidase assay was performed by the a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 1 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine