Compound Detail
CHEMBL5594381
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Basic Information
| ChEMBL ID | CHEMBL5594381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOQCJQHTWFXKRU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
2.46
ALogP
6
HBA
1
HBD
71.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.69
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Protein O-GlcNAcase CHEMBL3351213 | EC50 | 6.69 | 6.69 | 205.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | IC50 | = | 41.98 | nM | 7.38 | Inhibition of GST-tagged human recombinant OGA using fuoresceinmono-beta-o-N-ace... | 39109492 |
| Protein O-GlcNAcase | EC50 | = | 205.2 | nM | 6.69 | Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incu... | 39109492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39109492 | 10.1021/acs.jmedchem.4c01132 | Protein O-GlcNAcase | 2 |
Data from ChEMBL 36 via Core Engine