Compound Detail
CHEMBL5271324
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COc1cc(O)c2c(=O)c3c(O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)ccc3oc2c1
Basic Information
| ChEMBL ID | CHEMBL5271324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQLVPZRKLHQVFP-MMWSJNTDSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.5
MW (Da)
-0.96
ALogP
14
HBA
7
HBD
218.0
PSA (Ų)
0.19
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maltase-glucoamylase CHEMBL2074 | IC50 | 4.51 | 4.505 | 31100.0 | 2 |
| Alpha-glucosidase CHEMBL5291954 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maltase-glucoamylase | IC50 | = | 31100.0 | nM | 4.51 | Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincu... | 30282319 |
| Maltase-glucoamylase | IC50 | = | 31600.0 | nM | 4.5 | Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincu... | 30282319 |
| Alpha-glucosidase | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as preincuba... | 30282319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30282319 | 10.1016/j.ejmech.2018.07.073 | Maltase-glucoamylase | 2 |
| 30282319 | 10.1016/j.ejmech.2018.07.073 | Alpha-glucosidase | 2 |
Data from ChEMBL 36 via Core Engine