Compound Detail
CHEMBL3120774
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
CCCC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3cc(OCC)nc4c(C)c(OC)ccc34)CN2C1=O
Basic Information
| ChEMBL ID | CHEMBL3120774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNIURSZJWMLWGK-MVUMTUMPSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
753.9
MW (Da)
3.59
ALogP
10
HBA
3
HBD
182.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 9.89 | 8.7067 | 0.1 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3833 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 0.13 | nM | 9.89 | Antiviral activity against Hepatitis C virus genotype 1b isolate Con1 harboring ... | 23506530 |
| Hepatitis C virus | EC50 | = | 2.8 | nM | 8.55 | 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 |
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