Compound Detail
CHEMBL4864234
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4864234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKNPQWSDOVRDOQ-JRJWNBDDSA-N |
| Parent Compound | CHEMBL5028645 |
| Active Moiety | CHEMBL5028645 |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
0.93
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.48 | 5.9925 | 33.0 | 4 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 5.77 | 5.33 | 1700.0 | 2 |
| Alpha-galactosidase CHEMBL5217 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 33.0 | nM | 7.48 | Inhibition of rice alpha-glucosidase using p-nitrophenyl glycoside as substrate ... | 34340042 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of rat intestinal maltase using maltose as substrate assessed as rele... | 34340042 |
| Sucrase-isomaltase, intestinal | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate ... | 34340042 |
| Sucrase-isomaltase, intestinal | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substra... | 34340042 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycoside as s... | 34340042 |
| Alpha-galactosidase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as ... | 34340042 |
| Unchecked | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of bovine liver beta-glucosidase using p-nitrophenyl glycoside as sub... | 34340042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34340042 | 10.1016/j.ejmech.2021.113716 | Unchecked | 15 |
| 34340042 | 10.1016/j.ejmech.2021.113716 | Sucrase-isomaltase, intestinal | 2 |
| 34340042 | 10.1016/j.ejmech.2021.113716 | Tissue alpha-L-fucosidase | 2 |
| 34340042 | 10.1016/j.ejmech.2021.113716 | Beta-glucuronidase | 2 |
| 34340042 | 10.1016/j.ejmech.2021.113716 | Alpha-galactosidase | 1 |
| 34340042 | 10.1016/j.ejmech.2021.113716 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine