Compound Detail
CHEMBL179130
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Basic Information
| ChEMBL ID | CHEMBL179130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXBIFEVIBLOUGU-BGPJRJDNSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
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 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-mannosidase CHEMBL4193 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Epididymis-specific alpha-mannosidase CHEMBL2682 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
| Lysosomal alpha-mannosidase CHEMBL4059 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-mannosidase | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory concentration against alpha-mannosidase of jack bean | 15771446 |
| Epididymis-specific alpha-mannosidase | IC50 | = | 59000.0 | nM | 4.23 | Inhibitory concentration against alpha-mannosidase of rat epididymis | 15771446 |
| Lysosomal alpha-mannosidase | IC50 | = | 64000.0 | nM | 4.19 | Inhibitory concentration against human alpha-mannosidase | 15771446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771446 | 10.1021/jm0495881 | Beta-galactosidase | 3 |
| 15771446 | 10.1021/jm0495881 | Tissue alpha-L-fucosidase | 2 |
| 15771446 | 10.1021/jm0495881 | Beta-mannosidase | 2 |
| 15771446 | 10.1021/jm0495881 | Alpha-mannosidase | 2 |
| 15771446 | 10.1021/jm0495881 | Alpha-glucosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Maltase-glucoamylase | 1 |
| 15771446 | 10.1021/jm0495881 | Cytosolic beta-glucosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Lysosomal alpha-mannosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-galactosidase A | 1 |
| 15771446 | 10.1021/jm0495881 | Sucrase-isomaltase, intestinal | 1 |
| 15771446 | 10.1021/jm0495881 | Epididymis-specific alpha-mannosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Unchecked | 1 |
| 15771446 | 10.1021/jm0495881 | Alpha-galactosidase C | 1 |
Data from ChEMBL 36 via Core Engine