Compound Detail
CHEMBL612103
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Basic Information
| ChEMBL ID | CHEMBL612103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQHUPXAKCRNIRT-QNSHHTMESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
-0.03
ALogP
7
HBA
4
HBD
117.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.78
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.78 | 4.78 | 16700.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.38 | 4.38 | 41700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 16700.0 | nM | 4.78 | Antiviral activity against HCV in ET cells assessed as activity of luciferase re... | 19072694 |
| ADMET | IC50 | = | 41700.0 | nM | 4.38 | Cytotoxicity against ET cells | 19072694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19072694 | 10.1021/jm801418v | ADMET | 2 |
| 19072694 | 10.1021/jm801418v | Hepatitis B virus | 2 |
| 19072694 | 10.1021/jm801418v | Hepatitis C virus | 1 |
| 19072694 | 10.1021/jm801418v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine