Compound Detail
CHEMBL519261
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL519261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUJDTJSEAKUOOC-KEGYGLKMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
-4.75
ALogP
10
HBA
8
HBD
172.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | IC50 | = | 78000.0 | nM | 4.11 | Inhibition of bovine epididymis alpha-L-fucosidase assessed as p-nitrophenol rel... | 12502331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502331 | 10.1021/np020296h | Unchecked | 2 |
| 12502331 | 10.1021/np020296h | Acidic alpha-glucosidase | 2 |
| 12502331 | 10.1021/np020296h | Beta-glucosidase A | 1 |
| 12502331 | 10.1021/np020296h | Beta-mannosidase | 1 |
| 12502331 | 10.1021/np020296h | Beta-galactosidase | 1 |
| 12502331 | 10.1021/np020296h | Tissue alpha-L-fucosidase | 1 |
| 12502331 | 10.1021/np020296h | Oligo-1,6-glucosidase IMA1 | 1 |
Data from ChEMBL 36 via Core Engine