Compound Detail
CHEMBL84844
DEOXYMANNOJIRIMYCIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL84844 |
| Name | DEOXYMANNOJIRIMYCIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXBIFEVIBLOUGU-KVTDHHQDSA-N |
3
Targets
12
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
-2.97
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 5.33
IC50 5 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL3545 | Ki | 5.33 | 5.33 | 4700.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL4176 | Ki | 5.33 | 4.925 | 4700.0 | 2 |
| Alpha-mannosidase CHEMBL4193 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | Ki | = | 4700.0 | nM | 5.33 | Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by ... | 9651160 |
| Tissue alpha-L-fucosidase | Ki | = | 4700.0 | nM | 5.33 | Ki value against bovine alpha-L-fucosidase | 15771446 |
| Alpha-mannosidase | Ki | = | 18000.0 | nM | 4.75 | Inhibition of jack beans alpha-mannosidase | 16481162 |
| Tissue alpha-L-fucosidase | Ki | = | 30000.0 | nM | 4.52 | Inhibition constant against Alpha-Fucosidase | - |
| Tissue alpha-L-fucosidase | IC50 | = | 39000.0 | nM | 4.41 | Inhibitory concentration against alpha-L-fucosidase of bovine epididymis | 15771446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22101135 | 10.1016/j.bmcl.2011.10.081 | PBMC | 5 |
| 15771446 | 10.1021/jm0495881 | Beta-galactosidase | 3 |
| 15771446 | 10.1021/jm0495881 | Tissue alpha-L-fucosidase | 3 |
| 15771446 | 10.1021/jm0495881 | Beta-mannosidase | 2 |
| 22101135 | 10.1016/j.bmcl.2011.10.081 | Tyrosine-protein kinase JAK1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 15771446 | 10.1021/jm0495881 | Alpha-mannosidase | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.1016/S0960-894X(00)80648-4 | Neutral alpha-glucosidase AB | 2 |
| - | 10.1016/S0960-894X(00)80648-4 | Beta-mannosidase | 2 |
| 15771446 | 10.1021/jm0495881 | Maltase-glucoamylase | 1 |
| 15771446 | 10.1021/jm0495881 | Lysosomal alpha-mannosidase | 1 |
| 9651160 | 10.1021/jm970836l | Tissue alpha-L-fucosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-galactosidase A | 1 |
| 15771446 | 10.1021/jm0495881 | Sucrase-isomaltase, intestinal | 1 |
| 15771446 | 10.1021/jm0495881 | Epididymis-specific alpha-mannosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-galactosidase | 1 |
| - | 10.1016/S0960-894X(00)80649-6 | Tissue alpha-L-fucosidase | 1 |
| 16481162 | 10.1016/j.bmcl.2006.01.095 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine