Compound Detail
CHEMBL3925625
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Basic Information
| ChEMBL ID | CHEMBL3925625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFKWJRPARVBAGW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
338.8
MW (Da)
3.64
ALogP
5
HBA
2
HBD
81.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL2728 | IC50 | 5.79 | 5.78 | 1624.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 1624.0 | nM | 5.79 | Activity Assay: PNPG Assay: Two ß-glucuronidase activity assays were employed to... | - |
| Beta-glucuronidase | IC50 | = | 1688.9 | nM | 5.77 | Cell-Based Assay: PheG Assay: Two ß-glucuronidase activity assays were employed ... | - |
Data from ChEMBL 36 via Core Engine