Compound Detail
CHEMBL227745
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Basic Information
| ChEMBL ID | CHEMBL227745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBMZLHCAPBBOFS-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
3.43
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
EC50 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 7.77 | 6.735 | 17.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.88 | 5.88 | 1308.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 17.0 | nM | 7.77 | Inhibition of HCV 1b BK NS5B delta21 RNA polymerase expressed in Escherichia col... | 17402724 |
| Hepatitis C virus | EC50 | = | 1308.0 | nM | 5.88 | Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human ... | 18936191 |
| Hepatitis C virus | IC50 | = | 2000.0 | nM | 5.7 | Antiviral activity in Huh7 cells containing HCV 1b BB7 replicon | 17402724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17402724 | 10.1021/jm061428x | Unchecked | 6 |
| 18936191 | 10.1128/aac.01081-08 | Hepatitis C virus | 3 |
| 17402724 | 10.1021/jm061428x | Hepatitis C virus | 2 |
| 17402724 | 10.1021/jm061428x | ADMET | 1 |
Data from ChEMBL 36 via Core Engine