Compound Detail
CHEMBL2376266
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CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCc1ccccc1)C=C1c3cc4c(cc3C(=O)N(Cc3ccccc3)[C@H]12)OCO4
Basic Information
| ChEMBL ID | CHEMBL2376266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRBBHRWKHXAHBQ-AUAHOFGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.94
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 65000.0 | nM | 4.19 | Antiviral activity against Hepatitis C virus infected in human Huh7.5 cells afte... | 23511018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23511018 | 10.1016/j.bmcl.2013.02.089 | Unchecked | 1 |
| 23511018 | 10.1016/j.bmcl.2013.02.089 | Hepatitis C virus | 1 |
| 23511018 | 10.1016/j.bmcl.2013.02.089 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine