Compound Detail
CHEMBL1779173
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Basic Information
| ChEMBL ID | CHEMBL1779173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWGXEHQUMYFLHD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
4.61
ALogP
3
HBA
1
HBD
65.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | IC50 | = | 7500.0 | nM | 5.12 | Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... | 21524588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21524588 | 10.1016/j.bmc.2011.04.004 | ADMET | 1 |
| 21524588 | 10.1016/j.bmc.2011.04.004 | Unchecked | 1 |
| 21524588 | 10.1016/j.bmc.2011.04.004 | Hepatitis B virus | 1 |
Data from ChEMBL 36 via Core Engine