Compound Detail
CHEMBL4873613
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Basic Information
| ChEMBL ID | CHEMBL4873613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMCNHJYXBNRTEN-DVKVAQLYSA-N |
| Parent Compound | CHEMBL5028795 |
| Active Moiety | CHEMBL5028795 |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
1.71
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.62 | 7.39 | 24.0 | 2 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 5.92 | 5.515 | 1200.0 | 2 |
| Alpha-galactosidase CHEMBL5217 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 24.0 | nM | 7.62 | Inhibition of rice alpha-glucosidase using p-nitrophenyl glycoside as substrate ... | 34340042 |
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of rat intestinal maltase using maltose as substrate assessed as rele... | 34340042 |
| Sucrase-isomaltase, intestinal | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate ... | 34340042 |
| Sucrase-isomaltase, intestinal | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substra... | 34340042 |
| Alpha-galactosidase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as ... | 34340042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34340042 | 10.1016/j.ejmech.2021.113716 | Unchecked | 17 |
| 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