Compound Detail
CHEMBL446827
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Basic Information
| ChEMBL ID | CHEMBL446827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPSPCMSCDNHZJM-CHHVJCJISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.72
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.46 | 4.46 | 34600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 34600.0 | nM | 4.46 | Growth inhibition of mouse Hepa-1c1c7 cells | 12762787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12762787 | 10.1021/np020522n | Unchecked | 2 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Unchecked | 2 |
| 12762787 | 10.1021/np020522n | Quinone oxidoreductase | 1 |
| 12762787 | 10.1021/np020522n | NON-PROTEIN TARGET | 1 |
| 38052378 | 10.1016/j.bmcl.2023.129574 | Pancreatic triacylglycerol lipase | 1 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine