Compound Detail
CHEMBL3349442
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CC(C)(C)c1cc(CN[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1O
Basic Information
| ChEMBL ID | CHEMBL3349442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBRZVSLCNOFDAH-WTLZFGJLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
0.66
ALogP
7
HBA
7
HBD
133.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal CHEMBL2748 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Maltase-glucoamylase CHEMBL2074 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal | IC50 | = | 6.8 | nM | 8.17 | Alpha-D-glucosidase inhibitory activity and enzyme inhibition in vitro against p... | 3519969 |
| Maltase-glucoamylase | IC50 | = | 43.0 | nM | 7.37 | Inhibitory activity against porcine maltase | 3519969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3519969 | 10.1021/jm00156a023 | Maltase-glucoamylase | 1 |
| 3519969 | 10.1021/jm00156a023 | Sucrase-isomaltase, intestinal | 1 |
Data from ChEMBL 36 via Core Engine