Compound Detail
CHEMBL4085344
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CCOC(=O)[C@@H](CC(C)C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(Cl)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4085344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWIDHZRWHDKXPF-TUJDOEPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
574.0
MW (Da)
2.56
ALogP
10
HBA
3
HBD
158.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.43 | 4.43 | 37400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 37400.0 | nM | 4.43 | Antiviral activity against HCV genotype 1b Con1 expressing NS3 protease infected... | 28835346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28835346 | 10.1016/j.bmcl.2017.08.029 | Liver | 1 |
| 28835346 | 10.1016/j.bmcl.2017.08.029 | Hepatitis C virus | 1 |
| 28835346 | 10.1016/j.bmcl.2017.08.029 | Unchecked | 1 |
| 28835346 | 10.1016/j.bmcl.2017.08.029 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine