Compound Detail
CHEMBL3686728
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Basic Information
| ChEMBL ID | CHEMBL3686728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLEFGIVZIHLOID-VVULQXIFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
-1.01
ALogP
7
HBA
3
HBD
85.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
EC50 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | Ki | 7.89 | 7.89 | 13.0 | 2 |
| Protein O-GlcNAcase CHEMBL3351213 | EC50 | 6.78 | 6.78 | 165.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | Ki | = | 13.0 | nM | 7.89 | Fluorescence-Based Assay: Enzymatic reactions were carried out in a reaction con... | - |
| Protein O-GlcNAcase | Ki | = | 13.0 | nM | 7.89 | Inhibition of recombinant human OGA | 31487175 |
| Protein O-GlcNAcase | EC50 | = | 165.0 | nM | 6.78 | Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incu... | 31487175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Protein O-GlcNAcase | 2 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Beta-hexosaminidase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine