Compound Detail
CHEMBL4473249
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COc1ccc(-n2c(-c3cn(-c4ccccc4)nc3-c3cc4ccccc4oc3=O)nc(-c3ccccc3)c2-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4473249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOSWVJITTWOTQI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
612.7
MW (Da)
8.84
ALogP
7
HBA
0
HBD
75.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid... | 31112894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine