Compound Detail
CHEMBL2442255
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Basic Information
| ChEMBL ID | CHEMBL2442255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKPNGKXDFNCSEZ-JAJWTYFOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
-2.24
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.14 | 5.44 | 720.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 720.0 | nM | 6.14 | Inhibition of rat intestinal alpha-glucosidase using sucrose as substrate assess... | 23993676 |
| Unchecked | IC50 | = | 720.0 | nM | 6.14 | Inhibition of rat intestinal maltase using maltose as substrate | 31927314 |
| Unchecked | IC50 | = | 91880.0 | nM | 4.04 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate... | 31927314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31927314 | 10.1016/j.ejmech.2020.112034 | Unchecked | 2 |
| 23993676 | 10.1016/j.bmc.2013.07.048 | Unchecked | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Tissue alpha-L-fucosidase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine