Compound Detail
CHEMBL175901
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Basic Information
| ChEMBL ID | CHEMBL175901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXBIFEVIBLOUGU-UNTFVMJOSA-N |
3
Targets
7
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
IC50 6 meas. best 5.08
Ki 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| Ceramide glucosyltransferase CHEMBL2063 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 4.66 | 4.46 | 22000.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of rat intestinal maltase using maltose as substrate assessed as rele... | 34340042 |
| Ceramide glucosyltransferase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of GCS by cell-based assay | 20000679 |
| Sucrase-isomaltase, intestinal | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate ... | 34340042 |
| Unchecked | Ki | = | 26000.0 | nM | 4.58 | Inhibition of Agrobacterium sp. beta-glucosidase | 20610152 |
| Sucrase-isomaltase, intestinal | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substra... | 34340042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34340042 | 10.1016/j.ejmech.2021.113716 | Unchecked | 10 |
| 15771446 | 10.1021/jm0495881 | Beta-galactosidase | 3 |
| 34340042 | 10.1016/j.ejmech.2021.113716 | Sucrase-isomaltase, intestinal | 2 |
| 15771446 | 10.1021/jm0495881 | Beta-mannosidase | 2 |
| 15771446 | 10.1021/jm0495881 | Alpha-mannosidase | 2 |
| 15771446 | 10.1021/jm0495881 | Tissue alpha-L-fucosidase | 2 |
| 15771446 | 10.1021/jm0495881 | Alpha-galactosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Beta-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Unchecked | 1 |
| 35072486 | 10.1021/acs.jmedchem.1c01673 | Lysosomal alpha-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Maltase-glucoamylase | 1 |
| 20000679 | 10.1021/jm901281m | Sucrase-isomaltase, intestinal | 1 |
| 20000679 | 10.1021/jm901281m | Ceramide glucosyltransferase | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-galactosidase C | 1 |
| 15771446 | 10.1021/jm0495881 | Epididymis-specific 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 | Cytosolic beta-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine