Compound Detail
CHEMBL4284758
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OC[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3c(-c4ccccc4)ncnc32)[C@H](F)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4284758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEJNXGXTAJJLMM-STQYRHOTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
413.8
MW (Da)
3.49
ALogP
6
HBA
2
HBD
80.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.09 | 4.89 | 8200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 8200.0 | nM | 5.09 | Antiviral activity against HCV genotype 1b infected in human Hep2 replicon cells... | 30108897 |
| Hepatitis C virus | EC50 | = | 20300.0 | nM | 4.69 | Antiviral activity against HCV genotype 2a infected in human Hep2 replicon cells... | 30108897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108897 | 10.1039/C7MD00319F | Hepatitis C virus | 2 |
| 30108897 | 10.1039/C7MD00319F | Unchecked | 2 |
| 30108897 | 10.1039/C7MD00319F | Human alphaherpesvirus 1 | 1 |
| 30108897 | 10.1039/C7MD00319F | Coxsackievirus B3 | 1 |
| 30108897 | 10.1039/C7MD00319F | Influenza A virus | 1 |
| 30108897 | 10.1039/C7MD00319F | dengue virus type 2 | 1 |
| 30108897 | 10.1039/C7MD00319F | HEp-2 | 1 |
| 30108897 | 10.1039/C7MD00319F | Vero | 1 |
Data from ChEMBL 36 via Core Engine