Compound Detail
CHEMBL4450847
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COc1ccc(Cc2nnc(-c3ccc(Cl)cc3)n2CC(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4450847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLDNWTJPOZNJHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.5
MW (Da)
4.87
ALogP
6
HBA
3
HBD
93.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha glucosidase CHEMBL3833502 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha glucosidase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of alpha-glucosidase (unknown origin) | 31112894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Alpha glucosidase | 1 |
Data from ChEMBL 36 via Core Engine