Compound Detail
CHEMBL4167121
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 | CHEMBL4167121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNPYLNFGULYCBW-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
2.02
ALogP
5
HBA
2
HBD
108.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HBV genotype D CHEMBL612769 | EC50 | 6.09 | 6.09 | 810.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HBV genotype D | EC50 | = | 810.0 | nM | 6.09 | Antiviral activity against HBV genotype D infected in human HepG2.2.15 cells ass... | 29906396 |
| Hepatitis B virus | EC50 | = | 980.0 | nM | 6.01 | Antiviral activity against Hepatitis B virus infected in human HepG2.117 cells a... | 29906396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29906396 | 10.1021/acs.jmedchem.8b00654 | ADMET | 2 |
| 29906396 | 10.1021/acs.jmedchem.8b00654 | Hepatitis B virus | 1 |
| 29906396 | 10.1021/acs.jmedchem.8b00654 | HBV genotype D | 1 |
| 29906396 | 10.1021/acs.jmedchem.8b00654 | No relevant target | 1 |
| 29906396 | 10.1021/acs.jmedchem.8b00654 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine