Compound Detail
CHEMBL5591200
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Basic Information
| ChEMBL ID | CHEMBL5591200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCILMMWOUWBGCK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.30
ALogP
5
HBA
1
HBD
54.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.21
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | IC50 | 8.05 | 8.05 | 8.9 | 1 |
| Protein O-GlcNAcase CHEMBL3351213 | EC50 | 7.21 | 7.21 | 62.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | IC50 | = | 8.86 | nM | 8.05 | Inhibition of GST-tagged human recombinant OGA using fuoresceinmono-beta-o-N-ace... | 39109492 |
| Protein O-GlcNAcase | EC50 | = | 62.34 | nM | 7.21 | 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