Compound Detail
CHEMBL443158
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Basic Information
| ChEMBL ID | CHEMBL443158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRBKDBZXOAEMOT-KVTDHHQDSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
-1.94
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL3482 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Beta-mannosidase CHEMBL3431 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of bovine liver beta-galactosidase assessed as p-nitrophenol release ... | 11858756 |
| Beta-mannosidase | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release ... | 11858756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11858756 | 10.1021/np010360f | Unchecked | 4 |
| 8229017 | 10.1021/np50098a020 | Unchecked | 4 |
| 11858756 | 10.1021/np010360f | Sucrase-isomaltase, intestinal | 2 |
| 11858756 | 10.1021/np010360f | Acidic alpha-glucosidase | 1 |
| 11858756 | 10.1021/np010360f | Alpha-galactosidase | 1 |
| 11858756 | 10.1021/np010360f | Beta-mannosidase | 1 |
| 11858756 | 10.1021/np010360f | Beta-galactosidase | 1 |
| 11858756 | 10.1021/np010360f | Tissue alpha-L-fucosidase | 1 |
| 8229017 | 10.1021/np50098a020 | Beta-mannosidase | 1 |
| 8229017 | 10.1021/np50098a020 | Tissue alpha-L-fucosidase | 1 |
| 8229017 | 10.1021/np50098a020 | Beta-galactosidase | 1 |
| 8229017 | 10.1021/np50098a020 | Exo-1,4-beta-xylosidase xlnD | 1 |
Data from ChEMBL 36 via Core Engine