Compound Detail
CHEMBL4217303
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Basic Information
| ChEMBL ID | CHEMBL4217303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJPNHGVNYCBIIB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.1
MW (Da)
2.88
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XII CHEMBL2821 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Alpha amylase CHEMBL6066863 | IC50 | 5.5 | 5.5 | 3130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XII | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for... | 28918098 |
| Alpha amylase | IC50 | = | 3130.0 | nM | 5.5 | Inhibition of alpha-amylase (unknown origin) using starch as substrate preincuba... | 31514061 |
| Alpha glucosidase | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of alpha-glucosidase (unknown origin) | 31514061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31514061 | 10.1016/j.ejmech.2019.111677 | Alpha glucosidase | 3 |
| 28918098 | 10.1016/j.ejmech.2017.08.056 | Coagulation factor XII | 1 |
| 31514061 | 10.1016/j.ejmech.2019.111677 | Alpha amylase | 1 |
Data from ChEMBL 36 via Core Engine