Compound Detail
CHEMBL230635
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CCOc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL230635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGSGTSLFHFVIKJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.0
MW (Da)
5.66
ALogP
8
HBA
1
HBD
98.8
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.5
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by enzymatic assa... | 17658778 |
| Hepatitis C virus | EC50 | = | 320.0 | nM | 6.5 | Antiviral activity against Hepatitis C virus infected Huh7 cells | 17658778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17658778 | 10.1021/jm0704447 | Unchecked | 1 |
| 17658778 | 10.1021/jm0704447 | Hepatitis C virus | 1 |
| 17658778 | 10.1021/jm0704447 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine