Compound Detail
CHEMBL3647389
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CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H]([C@](C)(O)C(F)(F)F)O[C@@H]2S1
Basic Information
| ChEMBL ID | CHEMBL3647389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTIOJTAULTXENA-BQWZOORQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
-0.22
ALogP
7
HBA
3
HBD
85.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | Ki | 8.5 | 8.5 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | Ki | = | 3.16 | nM | 8.5 | Inhibition Assay: Enzymatic reactions are carried out in a reaction containing 5... | - |
Data from ChEMBL 36 via Core Engine