Compound Detail
CHEMBL2206827
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Basic Information
| ChEMBL ID | CHEMBL2206827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILPLXBQAXZPQTP-BNHYGAARSA-N |
1
Targets
14
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
-2.39
ALogP
5
HBA
5
HBD
84.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.16
Ki 6 meas. best 4.11
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 70000.0 | nM | 4.16 | Inhibitory activity towards Alpha-glucosidase from Baker yeast (isomaltase) | 11549453 |
| Unchecked | Ki | = | 77000.0 | nM | 4.11 | Inhibitory activity towards Alpha-glucosidase from Baker yeast (isomaltase) | 11549453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Unchecked | 6 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-galactosidase | 5 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Alpha-mannosidase | 4 |
| 23151473 | 10.1016/j.bmc.2012.10.011 | Unchecked | 4 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-glucosidase | 3 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-glucosidase A | 3 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Alpha-glucosidase | 1 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Glucoamylase | 1 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Glucoamylase 1 | 1 |
| 23151473 | 10.1016/j.bmc.2012.10.011 | Alpha-mannosidase 2 | 1 |
| 23151473 | 10.1016/j.bmc.2012.10.011 | Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine