Compound Detail
CHEMBL407337
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Basic Information
| ChEMBL ID | CHEMBL407337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGFACLQFIYFFOI-DBRKOABJSA-N |
5
Targets
14
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
-2.58
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 4.6367 | 2200.0 | 3 |
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 5.6 | 5.37 | 2500.0 | 2 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Glycogen debranching enzyme CHEMBL5272 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Beta-galactosidase CHEMBL3482 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of rice alpha-glucosidase | 9599261 |
| Acidic alpha-glucosidase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Wistar rat intestinal maltase | 9599261 |
| Acidic alpha-glucosidase | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of Wistar rat liver lysosomal alpha-glucosidase | 9599261 |
| Glycogen debranching enzyme | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of amylo-1,6-glucosidase | 18258441 |
| Sucrase-isomaltase, intestinal | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of Wistar rat intestinal sucrase | 9599261 |
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of bovine liver beta-galactosidase | 9599261 |
| Beta-galactosidase | IC50 | = | 88000.0 | nM | 4.06 | Inhibition of bovine liver beta-galactosidase assessed as p-nitrophenol release ... | 12502331 |
| Unchecked | IC50 | = | 94000.0 | nM | 4.03 | Inhibition of Penicillium decumbens alpha-L-rhamnosidase assessed as p-nitrophen... | 12502331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599261 | 10.1021/np9705726 | Unchecked | 4 |
| 12502331 | 10.1021/np020296h | Unchecked | 2 |
| 12502331 | 10.1021/np020296h | Acidic alpha-glucosidase | 2 |
| 9599261 | 10.1021/np9705726 | Acidic alpha-glucosidase | 2 |
| 9599261 | 10.1021/np9705726 | Sucrase-isomaltase, intestinal | 2 |
| 18258441 | 10.1016/j.bmc.2008.01.032 | Glycogen debranching enzyme | 1 |
| 18258441 | 10.1016/j.bmc.2008.01.032 | Unchecked | 1 |
| 12502331 | 10.1021/np020296h | Oligo-1,6-glucosidase IMA1 | 1 |
| 12502331 | 10.1021/np020296h | Beta-glucosidase A | 1 |
| 12502331 | 10.1021/np020296h | Beta-mannosidase | 1 |
| 12502331 | 10.1021/np020296h | Beta-galactosidase | 1 |
| 12502331 | 10.1021/np020296h | Tissue alpha-L-fucosidase | 1 |
| 9599261 | 10.1021/np9705726 | Lactase/phlorizin hydrolase | 1 |
| 9599261 | 10.1021/np9705726 | Tissue alpha-L-fucosidase | 1 |
| 9599261 | 10.1021/np9705726 | Uncharacterized protein | 1 |
Data from ChEMBL 36 via Core Engine