Compound Detail
CHEMBL369297
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Basic Information
| ChEMBL ID | CHEMBL369297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXBIFEVIBLOUGU-FSIIMWSLSA-N |
3
Targets
11
Activities
1
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
IC50 11 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase CHEMBL5280 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.37 | 4.96 | 4300.0 | 2 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 4.75 | 4.65 | 18000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-glucosidase | IC50 | = | 4300.0 | nM | 5.37 | Inhibitory concentration against rice alpha-glucosidase | 15771446 |
| Unchecked | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of rice alpha-glucosidase assessed as production of D-glucose using m... | 21546253 |
| Sucrase-isomaltase, intestinal | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of rat intestinal sucrase assessed as production of p-nitrophenol at ... | 21546253 |
| Sucrase-isomaltase, intestinal | IC50 | = | 28000.0 | nM | 4.55 | Inhibitory concentration against rat intestinal maltase | 15771446 |
| Unchecked | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of rat intestinal maltase assessed as production of D-glucose using m... | 21546253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21546253 | 10.1016/j.bmc.2011.04.011 | Unchecked | 8 |
| 15771446 | 10.1021/jm0495881 | Beta-galactosidase | 3 |
| 15771446 | 10.1021/jm0495881 | Tissue alpha-L-fucosidase | 2 |
| 15771446 | 10.1021/jm0495881 | Cytosolic beta-glucosidase | 2 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Sucrase-isomaltase, intestinal | 2 |
| 15771446 | 10.1021/jm0495881 | Beta-mannosidase | 2 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Beta-galactosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-glucosidase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Tissue alpha-L-fucosidase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Lysosomal acid glucosylceramidase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Glucosylceramidase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Lactase/phlorizin hydrolase | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-galactosidase C | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-galactosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Epididymis-specific alpha-mannosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-mannosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Sucrase-isomaltase, intestinal | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-galactosidase A | 1 |
| 15771446 | 10.1021/jm0495881 | Lysosomal alpha-mannosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Maltase-glucoamylase | 1 |
Data from ChEMBL 36 via Core Engine