Compound Detail
CHEMBL4516073
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O=C(COc1ccc2ccc(=O)oc2c1)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccc(Cl)cc21
Basic Information
| ChEMBL ID | CHEMBL4516073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRMVPVQKVSYHAQ-JVCXMKTPSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.9
MW (Da)
4.03
ALogP
6
HBA
1
HBD
101.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Ki 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase CHEMBL5291954 | Ki | 5.69 | 5.69 | 2040.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Alpha-glucosidase CHEMBL5291954 | IC50 | 5.59 | 5.59 | 2560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-glucosidase | Ki | = | 2040.0 | nM | 5.69 | Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p... | 36680985 |
| Alpha glucosidase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glu... | 31112894 |
| Alpha-glucosidase | IC50 | = | 2560.0 | nM | 5.59 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp... | 36680985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36680985 | 10.1016/j.ejmech.2023.115119 | Alpha-glucosidase | 2 |
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Alpha glucosidase | 1 |
Data from ChEMBL 36 via Core Engine