Compound Detail
CHEMBL3918889
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O=c1ccc2nc3ccc(OCCCCn4cc(CCCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn4)cc3oc-2c1
Basic Information
| ChEMBL ID | CHEMBL3918889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZZDYUFEJANTQR-WKWYISCVSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
553.6
MW (Da)
0.83
ALogP
12
HBA
4
HBD
167.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.19 | 5.935 | 650.0 | 2 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 5.57 | 5.385 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 650.0 | nM | 6.19 | Inhibition of rat small intestinal brush border membrane maltase assessed as red... | 27956035 |
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of rice alpha-glucosidase assessed as reduction in production of D-gl... | 27956035 |
| Sucrase-isomaltase, intestinal | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of rat small intestinal brush border membrane sucrase assessed as red... | 27956035 |
| Sucrase-isomaltase, intestinal | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of rat small intestinal brush border membrane isomaltase assessed as ... | 27956035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27956035 | 10.1016/j.bmc.2016.11.053 | Unchecked | 3 |
| 27956035 | 10.1016/j.bmc.2016.11.053 | Sucrase-isomaltase, intestinal | 2 |
Data from ChEMBL 36 via Core Engine