Compound Detail
CHEMBL3289124
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Basic Information
| ChEMBL ID | CHEMBL3289124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHMMDOKMWWYKEI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.1
MW (Da)
3.06
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.01 | 5.01 | 9730.0 | 1 |
| Beta-glucuronidase CHEMBL2728 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9730.0 | nM | 5.01 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase for 15 mins by multipla... | 26552899 |
| Beta-glucuronidase | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of beta-glucuronidase activity (unknown origin) assessed as p-nitroph... | 24844756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24844756 | 10.1016/j.bmc.2014.04.039 | Beta-glucuronidase | 1 |
| 24844756 | 10.1016/j.bmc.2014.04.039 | PC-3 | 1 |
| 26552899 | 10.1016/j.bmc.2015.10.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine