Compound Detail
CHEMBL4761153
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
Basic Information
| ChEMBL ID | CHEMBL4761153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFWXCGFBGDPCQZ-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
631.9
MW (Da)
8.62
ALogP
10
HBA
2
HBD
125.4
PSA (Ų)
0.06
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 6.61 | 6.61 | 248.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 248.0 | nM | 6.61 | Antiviral activity against HBV infected in human HepG2 assessed as reduction in ... | 27933889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933889 | 10.1021/acs.jmedchem.6b01292 | ADMET | 2 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | No relevant target | 1 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | Human immunodeficiency virus 1 | 1 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | Unchecked | 1 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | Hepatitis B virus | 1 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine