Compound Detail
CHEMBL4461377
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
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(ccc4oc5cc(-c6cnc([C@@H]7CCCN7C(=O)[C@@H](NC(=O)OC)C7CCOCC7)[nH]6)ccc5c(=O)c43)c2)[nH]1)C1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL4461377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJNDFNMWIFMBRO-YSSMVSIISA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
915.0
MW (Da)
6.51
ALogP
12
HBA
4
HBD
223.3
PSA (Ų)
0.09
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5A CHEMBL3307224 | EC50 | 10.39 | 9.3875 | 0.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 5A | EC50 | = | 0.041 | nM | 10.39 | Inhibition of NS5A in HCV genotype 1a assessed as decrease in viral replication | 30711390 |
| Nonstructural protein 5A | EC50 | = | 0.48 | nM | 9.32 | Inhibition of NS5A in HCV genotype 2b assessed as decrease in viral replication | 30711390 |
| Nonstructural protein 5A | EC50 | = | 0.72 | nM | 9.14 | Inhibition of NS5A in HCV genotype 3a assessed as decrease in viral replication | 30711390 |
| Nonstructural protein 5A | EC50 | = | 2.0 | nM | 8.7 | Inhibition of NS5A Y93H mutant in HCV genotype 1a assessed as decrease in viral ... | 30711390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30711390 | 10.1016/j.bmcl.2019.01.031 | Nonstructural protein 5A | 5 |
Data from ChEMBL 36 via Core Engine