Compound Detail
CHEMBL3922222
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Basic Information
| ChEMBL ID | CHEMBL3922222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOKPSAUXHJHABU-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
1.23
ALogP
7
HBA
1
HBD
72.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
EC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL2728 | IC50 | 6.14 | 5.82 | 721.7 | 3 |
| Beta-glucuronidase CHEMBL2728 | EC50 | 6.11 | 6.105 | 776.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 721.7 | nM | 6.14 | Cell-Based Assay: PheG Assay: Two ß-glucuronidase activity assays were employed ... | - |
| Beta-glucuronidase | IC50 | = | 740.1 | nM | 6.13 | Activity Assay: PNPG Assay: Two ß-glucuronidase activity assays were employed to... | - |
| Beta-glucuronidase | EC50 | = | 776.9 | nM | 6.11 | Activity Assay: PNPG Assay: Two ß-glucuronidase activity assays were employed to... | - |
| Beta-glucuronidase | EC50 | = | 793.1 | nM | 6.1 | Cell-Based Assay: PheG Assay: Two ß-glucuronidase activity assays were employed ... | - |
| Beta-glucuronidase | IC50 | = | 6430.0 | nM | 5.19 | Inhibition of beta-glucuronidase (unknown origin) | 31835168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 1 |
Data from ChEMBL 36 via Core Engine