Compound Detail
CHEMBL446871
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
CC(=O)OC[C@H]1O[C@@H](O/N=C2/[C@H]3CCn4c(=O)n(-c5ccccc5)c(=O)n4C3[C@H](O)[C@@H]3O[C@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL446871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYJVDRFEVRMNKU-PDUPIGNJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
674.6
MW (Da)
-1.04
ALogP
18
HBA
1
HBD
217.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.37 | 4.37 | 42900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 42900.0 | nM | 4.37 | Antiviral activity against HCV replication in human HuH7 cells expressing Rep-Fe... | 17682098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17682098 | 10.1128/aac.00233-07 | Hepatitis C virus | 1 |
| 17682098 | 10.1128/aac.00233-07 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine