Compound Detail
CHEMBL1236933
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Basic Information
| ChEMBL ID | CHEMBL1236933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZEKTGGQNDYMPR-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.00
ALogP
3
HBA
3
HBD
85.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.66
IC50 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL2728 | EC50 | 6.66 | 6.645 | 221.2 | 2 |
| Beta-glucuronidase CHEMBL2728 | IC50 | 6.23 | 6.225 | 585.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | EC50 | = | 221.2 | nM | 6.66 | Cell-Based Assay: PheG Assay: Two ß-glucuronidase activity assays were employed ... | - |
| Beta-glucuronidase | EC50 | = | 233.2 | nM | 6.63 | Activity Assay: PNPG Assay: Two ß-glucuronidase activity assays were employed to... | - |
| Beta-glucuronidase | IC50 | = | 585.7 | nM | 6.23 | Activity Assay: PNPG Assay: Two ß-glucuronidase activity assays were employed to... | - |
| Beta-glucuronidase | IC50 | = | 600.8 | nM | 6.22 | Cell-Based Assay: PheG Assay: Two ß-glucuronidase activity assays were employed ... | - |
Data from ChEMBL 36 via Core Engine