Compound Detail
CHEMBL237454
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O=C(OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL237454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRXAUBFEIAZBGH-XNIJJKJLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.8
MW (Da)
0.96
ALogP
9
HBA
2
HBD
119.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 41000.0 | nM | 4.39 | Inhibition of HCV replication in Huh7 cells after 48 hrs by luciferase assay | 17766124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17766124 | 10.1016/j.bmc.2007.08.025 | Hepatitis C virus | 1 |
| 17766124 | 10.1016/j.bmc.2007.08.025 | ADMET | 1 |
| 17766124 | 10.1016/j.bmc.2007.08.025 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine