Compound Detail
CHEMBL3120772
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
CCOc1cc(O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OC(C)C)C(=O)N3C2)c2ccc(OC)c(C)c2n1
Basic Information
| ChEMBL ID | CHEMBL3120772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYFIEPRYCBTYOD-JFOZRLIZSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
769.9
MW (Da)
3.81
ALogP
11
HBA
3
HBD
191.6
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 9.52 | 8.1967 | 0.3 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 0.3 | nM | 9.52 | Antiviral activity against Hepatitis C virus genotype 1b isolate Con1 harboring ... | 23506530 |
| Hepatitis C virus | EC50 | = | 21.0 | nM | 7.68 | Antiviral activity against Hepatitis C virus genotype 1a isolate H77 harboring N... | 23506530 |
| Hepatitis C virus | EC50 | = | 41.0 | nM | 7.39 | Antiviral activity against Hepatitis C virus genotype 1b isolate Con1 harboring ... | 23506530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23506530 | 10.1021/jm400121t | Hepatitis C virus | 3 |
| 23506530 | 10.1021/jm400121t | Caco-2 | 1 |
| 23506530 | 10.1021/jm400121t | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine