Compound Detail
CHEMBL4102358
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
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cnoc3C)C2c2ccc(C(C)(C)C)cc2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL4102358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDAQRUOOPHUCFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
5.08
ALogP
7
HBA
1
HBD
102.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.24 | 4.24 | 57200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 57200.0 | nM | 4.24 | Antiviral activity against HCV genotype 1b infected in human HuH5.2 cells with p... | 27810598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Hepatitis C virus | 1 |
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Huh-5-2 | 1 |
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine