Compound Detail
CHEMBL5179216
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O=C1c2cc(Cl)c3c4c(Oc5ccc(OCc6cn(CCCN7C[C@H](O)[C@@H](O)[C@H](O)[C@H]7CO)nn6)cc5)cc5c6c(cc(Oc7ccc(OCc8cn(CCCN9C[C@H](O)[C@@H](O)[C@H](O)[C@H]9CO)nn8)cc7)c(c7c(Oc8ccc(OCc9cn(CCCN%10C[C@H](O)[C@@H](O)[C@H](O)[C@H]%10CO)nn9)cc8)cc(c2c37)C(=O)N1Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)c64)C(=O)N(Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)C5=O
Basic Information
| ChEMBL ID | CHEMBL5179216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPWXPSNTZOGYSJ-JVMLLWQNSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
2170.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.0 | 6.5333 | 10.0 | 3 |
| Alpha-mannosidase CHEMBL3392945 | Ki | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10.0 | nM | 8.0 | Inhibition of rice alpha-glucosidase by Lineweaver-Burk plot analysis | 35931006 |
| Alpha-mannosidase | Ki | = | 120.0 | nM | 6.92 | Inhibition of jack bean alpha-mannosidase | 35931006 |
| Unchecked | Ki | = | 310.0 | nM | 6.51 | Inhibition of alpha-glucosidase in Kunming mouse using p-nitrophenyl-alpha-glyco... | 35931006 |
| Unchecked | Ki | = | 8040.0 | nM | 5.09 | Inhibition of Aspergillus niger alpha-glucosidase by Lineweaver-Burk plot analys... | 35931006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35931006 | 10.1016/j.ejmech.2022.114621 | ADMET | 16 |
| 35931006 | 10.1016/j.ejmech.2022.114621 | Mus musculus | 10 |
| 35931006 | 10.1016/j.ejmech.2022.114621 | Unchecked | 6 |
| 35931006 | 10.1016/j.ejmech.2022.114621 | Alpha-mannosidase | 2 |
| 35931006 | 10.1016/j.ejmech.2022.114621 | GES1 | 1 |
Data from ChEMBL 36 via Core Engine