Compound Detail
CHEMBL3407639
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Basic Information
| ChEMBL ID | CHEMBL3407639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSKOAAQNLWZMHN-YDZHTSKRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.9
MW (Da)
5.38
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maltase-glucoamylase CHEMBL2074 | IC50 | 5.28 | 5.28 | 5310.0 | 1 |
| Alpha-mannosidase CHEMBL3392945 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.69 | 4.69 | 20540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maltase-glucoamylase | IC50 | = | 5310.0 | nM | 5.28 | Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated ... | 25585009 |
| Alpha-mannosidase | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for ... | 31927314 |
| Unchecked | IC50 | = | 20540.0 | nM | 4.69 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate... | 31927314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25585009 | 10.1016/j.ejmech.2015.01.009 | Maltase-glucoamylase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Unchecked | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Tissue alpha-L-fucosidase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine