Compound Detail
CHEMBL2206826
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Basic Information
| ChEMBL ID | CHEMBL2206826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILPLXBQAXZPQTP-MVIOUDGNSA-N |
2
Targets
10
Activities
2
Assay Types
0
PK Parameters
10
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 6 meas.
Ki 4 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-mannosidase CHEMBL4193 | Ki | 4.23 | 4.23 | 59000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-mannosidase | Ki | = | 59000.0 | nM | 4.23 | Inhibitory activity towards Alpha-mannosidase from Jack bean | 11549453 |
| Unchecked | Ki | = | 83000.0 | nM | 4.08 | 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 | 4 |
| 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 | 2 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-glucosidase A | 2 |
| 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