Compound Detail
CHEMBL187158
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Basic Information
| ChEMBL ID | CHEMBL187158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTSCEGKYKXESFF-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
0.50
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CuFi-1 CHEMBL4513124 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Beta-glucosidase CHEMBL3761 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Alpha-glucosidase CHEMBL5280 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 6.64 | 6.2367 | 230.0 | 3 |
| Beta-glucosidase A CHEMBL4622 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CuFi-1 | IC50 | = | 0.6 | nM | 9.22 | Anti-inflammatory activity in human CuFi1 cells assessed as reduction in Pseudom... | 31075609 |
| Beta-glucosidase | IC50 | = | 35.0 | nM | 7.46 | Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substr... | 31075609 |
| Alpha-glucosidase | IC50 | = | 80.0 | nM | 7.1 | Inhibitory activity against alpha-Glucosidase from rice | 15546715 |
| Sucrase-isomaltase, intestinal | IC50 | = | 230.0 | nM | 6.64 | Inhibition of rat intestinal isomaltase using disaccharide | 15546715 |
| Sucrase-isomaltase, intestinal | IC50 | = | 660.0 | nM | 6.18 | Inhibition of rat intestinal sucrase using disaccharide | 15546715 |
| Sucrase-isomaltase, intestinal | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of rat intestinal maltase using disaccharide | 15546715 |
| Beta-glucosidase A | IC50 | = | 80000.0 | nM | 4.1 | Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum | 15546715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31075609 | 10.1016/j.ejmech.2019.04.061 | CuFi-1 | 5 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Sucrase-isomaltase, intestinal | 3 |
| 31075609 | 10.1016/j.ejmech.2019.04.061 | Beta-glucosidase | 2 |
| 31075609 | 10.1016/j.ejmech.2019.04.061 | Lysosomal acid glucosylceramidase | 2 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Alpha-glucosidase | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Unchecked | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Beta-glucosidase | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Beta-glucosidase A | 1 |
Data from ChEMBL 36 via Core Engine