Compound Detail
CHEMBL4065765
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CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@](F)(Cl)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4065765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJSBRLWRWVBUPV-XCMZYABDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
548.9
MW (Da)
2.12
ALogP
11
HBA
3
HBD
164.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.07 | 7.07 | 86.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 86.0 | nM | 7.07 | Replicon Assay: The assay utilizes the stably transfected cell line Huh-7 luc/ne... | - |
| Hepatitis C virus | EC50 | = | 100.0 | nM | 7.0 | 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