Compound Detail
CHEMBL5272219
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Basic Information
| ChEMBL ID | CHEMBL5272219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFKQYYRKLORISV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
4.66
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase CHEMBL5291954 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.55 | 5.55 | 2810.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.75 | 4.75 | 17750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-glucosidase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of yeast alpha-glucosidase using PNP-G as substrate preincubated for ... | 32871344 |
| Prostaglandin G/H synthase 2 | IC50 | = | 2810.0 | nM | 5.55 | Inhibition of COX-2 (unknown origin) by spectrophotometer assay | 32871344 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 17750.0 | nM | 4.75 | Inhibition of human recombinant GST-tagged PTP1B (1 to 321 residues) expressed i... | 32871344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32871344 | 10.1016/j.ejmech.2020.112742 | Alpha-glucosidase | 1 |
| 32871344 | 10.1016/j.ejmech.2020.112742 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 32871344 | 10.1016/j.ejmech.2020.112742 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine