Compound Detail
CHEMBL3398124
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CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3398124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUKSNHXKFKYGPP-DPJFGPCCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
553.5
MW (Da)
1.62
ALogP
12
HBA
3
HBD
188.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.64 | 5.31 | 2300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 2300.0 | nM | 5.64 | Antiviral activity against HCV genotype 2a infected in human HuH7 cells by repli... | 25650256 |
| Hepatitis C virus | EC50 | = | 2900.0 | nM | 5.54 | Antiviral activity against HCV genotype 1a infected in human HuH7 cells by repli... | 25650256 |
| Hepatitis C virus | EC50 | = | 17600.0 | nM | 4.75 | Antiviral activity against HCV genotype 1b infected in human HuH7 cells by repli... | 25650256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25650256 | 10.1016/j.bmcl.2015.01.021 | Hepatitis C virus | 3 |
| 25650256 | 10.1016/j.bmcl.2015.01.021 | ADMET | 3 |
Data from ChEMBL 36 via Core Engine