Compound Detail
CHEMBL4778073
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C/C=C\CC/C(C)=C/Cc1c(/C=C/c2ccccc2)c(C(=O)O)c(O)c(CCC(C)C)c1OC
Basic Information
| ChEMBL ID | CHEMBL4778073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUDMSTSIEDVLMO-WXGFCVSBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
7.70
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.33 | 5.33 | 4660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4660.0 | nM | 5.33 | Antiviral activity against HCV subtype 2a J6/JFH/JC1 infected in human Huh7.5 ce... | 27783522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27783522 | 10.1021/acs.jmedchem.6b01301 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine