Compound Detail
CHEMBL1236932
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Basic Information
| ChEMBL ID | CHEMBL1236932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANZIHXJDZSQUFB-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
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 | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.55
IC50 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL2728 | EC50 | 7.55 | 7.515 | 28.3 | 2 |
| Beta-glucuronidase CHEMBL2728 | IC50 | 6.43 | 6.425 | 369.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | EC50 | = | 28.3 | nM | 7.55 | Activity Assay: PNPG Assay: Two ß-glucuronidase activity assays were employed to... | - |
| Beta-glucuronidase | EC50 | = | 33.2 | nM | 7.48 | Cell-Based Assay: PheG Assay: Two ß-glucuronidase activity assays were employed ... | - |
| Beta-glucuronidase | IC50 | = | 369.3 | nM | 6.43 | Activity Assay: PNPG Assay: Two ß-glucuronidase activity assays were employed to... | - |
| Beta-glucuronidase | IC50 | = | 377.8 | nM | 6.42 | Cell-Based Assay: PheG Assay: Two ß-glucuronidase activity assays were employed ... | - |
Data from ChEMBL 36 via Core Engine