Compound Detail
CHEMBL1197149
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Basic Information
| ChEMBL ID | CHEMBL1197149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AONPADBRNRGNEX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.18
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
EC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.72 | 7.21 | 19.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19.0 | nM | 7.72 | Inhibition of HCV1b BK NS5B Cdelta21 RNA dependent RNA polymerase | 19877603 |
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Inhibition of HCV2b.2 NS5B Cdelta21 RNA dependent RNA polymerase | 19877603 |
| Hepatitis C virus | EC50 | = | 3800.0 | nM | 5.42 | Antiviral activity against HCV1b Con1 infected in human Huh7 clone HBI10A cells ... | 19877603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19877603 | 10.1021/jm900517t | Unchecked | 2 |
| 19877603 | 10.1021/jm900517t | ADMET | 1 |
| 19877603 | 10.1021/jm900517t | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine