Compound Detail
CHEMBL4112819
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Basic Information
| ChEMBL ID | CHEMBL4112819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUAGJEFCGABVOP-FMDGEEDCSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
-1.54
ALogP
7
HBA
3
HBD
85.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.52
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | Ki | 9.52 | 9.52 | 0.3 | 2 |
| Protein O-GlcNAcase CHEMBL5921 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | Ki | = | 0.3 | nM | 9.52 | null: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO... | - |
| Protein O-GlcNAcase | Ki | = | 0.3 | nM | 9.52 | Inhibition Assay: Enzymatic reactions were carried out in a reaction containing ... | - |
| Protein O-GlcNAcase | EC50 | = | 10.0 | nM | 8.0 | Cell-based ELISA Assay: The ELISA portion of the assay was performed in a black ... | - |
Data from ChEMBL 36 via Core Engine