Compound Detail
CHEMBL4095814
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(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@](F)(Cl)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4095814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHPOBNVGMJCZRL-JOFRVZIWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
588.9
MW (Da)
2.00
ALogP
12
HBA
4
HBD
192.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against HCV genotype 1b harboring wild type NS5B infected in ... | 28595015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28595015 | 10.1021/acs.jmedchem.7b00067 | Hepatitis C virus | 2 |
| 28595015 | 10.1021/acs.jmedchem.7b00067 | Huh-7 | 1 |
| 28595015 | 10.1021/acs.jmedchem.7b00067 | PBMC | 1 |
| 28595015 | 10.1021/acs.jmedchem.7b00067 | CCRF-CEM | 1 |
| 28595015 | 10.1021/acs.jmedchem.7b00067 | Vero | 1 |
Data from ChEMBL 36 via Core Engine