Compound Detail
CHEMBL179409
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Basic Information
| ChEMBL ID | CHEMBL179409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXBIFEVIBLOUGU-OMMKOOBNSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
17
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 4 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucosidase CHEMBL3761 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucosidase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of GBA2 by HPLC | 20000679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771446 | 10.1021/jm0495881 | Beta-galactosidase | 2 |
| 15771446 | 10.1021/jm0495881 | Alpha-mannosidase | 2 |
| 20000679 | 10.1021/jm901281m | Glycogen debranching enzyme | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Lysosomal alpha-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Beta-glucosidase | 1 |
| 20000679 | 10.1021/jm901281m | Unchecked | 1 |
| 20000679 | 10.1021/jm901281m | Lactase/phlorizin hydrolase | 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 | Alpha-galactosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Beta-mannosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Epididymis-specific alpha-mannosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Sucrase-isomaltase, intestinal | 1 |
| 15771446 | 10.1021/jm0495881 | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine