Compound Detail
CHEMBL382689
ACETAMIDODIDEOXYNOJIRIMYCIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL382689 |
| Name | ACETAMIDODIDEOXYNOJIRIMYCIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBRAQQUMMCVTAV-LXGUWJNJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
-2.82
ALogP
5
HBA
5
HBD
101.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.16 | 6.16 | 700.0 | 1 |
| Putative beta-hexosaminidase CHEMBL4534 | Ki | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 700.0 | nM | 6.16 | Inhibition of jack bean beta hexosaminidase | 23363020 |
| Putative beta-hexosaminidase | Ki | = | 80000.0 | nM | 4.1 | Inhibition of Streptomyces plicatus beta-D-hexosaminidase | 16481162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23363020 | 10.1021/jm301557k | Unchecked | 2 |
| 16481162 | 10.1016/j.bmcl.2006.01.095 | Putative beta-hexosaminidase | 1 |
Data from ChEMBL 36 via Core Engine