Compound Detail
CHEMBL3686732
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CC(=O)OC1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=C=S
Basic Information
| ChEMBL ID | CHEMBL3686732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCFYPHXVOGTBJV-YIPFDTCYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
0.13
ALogP
11
HBA
0
HBD
126.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | Ki | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | Ki | = | 3.3 | nM | 8.48 | Fluorescence-Based Assay: Enzymatic reactions were carried out in a reaction con... | - |
Data from ChEMBL 36 via Core Engine