Compound Detail
CHEMBL1236649
VALIDOXYLAMINE A Enter ChEMBL ID:
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OCC1=C[C@H](N[C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1236649 |
| Name | VALIDOXYLAMINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCJYNBLLJHFIIW-MBABXGOBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
-4.58
ALogP
9
HBA
9
HBD
173.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vacuolar acid trehalase CHEMBL2366477 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Trehalase CHEMBL3248 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Trehalase CHEMBL2268008 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vacuolar acid trehalase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Saccharomyces cerevisiae trehalase | - |
| Trehalase | IC50 | = | 4.9 | nM | 8.31 | Inhibition of Rattus norvegicus (rat) trehalase | - |
| Trehalase | IC50 | = | 48.0 | nM | 7.32 | Inhibition of Mamestra brassicae trehalase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.19.39 | Mamestra brassicae | 25 |
| - | 10.1584/jpestics.19.39 | Spodoptera litura | 21 |
| - | 10.1584/jpestics.19.39 | Trehalase | 4 |
| - | 10.1584/jpestics.19.39 | Unchecked | 2 |
| - | 10.1584/jpestics.19.39 | Chitinase A1 | 1 |
| - | 10.1584/jpestics.19.39 | Vacuolar acid trehalase | 1 |
Data from ChEMBL 36 via Core Engine