Compound Detail
CHEMBL4760093
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C#CCCC1(CCOc2cc3c(cc2C(=O)OC)-c2cc(=O)c(C(=O)O)cn2[C@@H](C(C)C)C3)N=N1
Basic Information
| ChEMBL ID | CHEMBL4760093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SESLHTLSTWKYKA-HXUWFJFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
4.10
ALogP
8
HBA
1
HBD
119.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 7.08 | 6.795 | 82.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 82.2 | nM | 7.08 | Antiviral activity against Hepatitis B virus infected in human HepG2.2.15 cells ... | 33080351 |
| Hepatitis B virus | EC50 | = | 305.2 | nM | 6.51 | Antiviral activity against Hepatitis B virus infected in human HepG2.2.15 cells ... | 33080351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33080351 | 10.1016/j.bmcl.2020.127615 | Hepatitis B virus | 2 |
| 33080351 | 10.1016/j.bmcl.2020.127615 | HepG2 2.2.15 | 1 |
Data from ChEMBL 36 via Core Engine