Compound Detail
CHEMBL391352
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Basic Information
| ChEMBL ID | CHEMBL391352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWYNJXSRJPAUCL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
3.43
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Core antigen CHEMBL1075091 | IC50 | 4.44 | 4.44 | 36270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Core antigen | IC50 | = | 36270.0 | nM | 4.44 | Inhibition of Hepatitis B virus core protein expressed in HBC cells derived from... | 38636128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26976506 | 10.1016/j.bmc.2016.03.012 | Unchecked | 2 |
| 17296301 | 10.1016/j.bmc.2007.01.039 | Candida albicans | 1 |
| 38636128 | 10.1016/j.ejmech.2024.116402 | Core antigen | 1 |
| 38636128 | 10.1016/j.ejmech.2024.116402 | HepG2 | 1 |
| 38636128 | 10.1016/j.ejmech.2024.116402 | Hepatitis B virus | 1 |
| 38636128 | 10.1016/j.ejmech.2024.116402 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine