Compound Detail
CHEMBL3686731
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CN(C)C(=O)OC[C@H]1O[C@@H]2SC(N3CCCC3)=N[C@@H]2[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3686731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDGBRTJHAZOMMH-LZQZFOIKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
-0.30
ALogP
8
HBA
2
HBD
94.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | Ki | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | Ki | = | 350.0 | nM | 6.46 | Fluorescence-Based Assay: Enzymatic reactions were carried out in a reaction con... | - |
Data from ChEMBL 36 via Core Engine