Compound Detail
CHEMBL607669
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Basic Information
| ChEMBL ID | CHEMBL607669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUIJNCCBICNURA-GWOFURMSSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.1
MW (Da)
0.35
ALogP
7
HBA
3
HBD
100.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.0
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.0 | 4.6675 | 10000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory concentration against hepatitis C virus helicase | 15633995 |
| Hepatitis C virus | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh5-... | 18625766 |
| Hepatitis C virus | EC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH6 ... | 18625766 |
| Hepatitis C virus | EC50 | = | 34000.0 | nM | 4.47 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-9... | 18625766 |
| Hepatitis C virus | EC50 | = | 53000.0 | nM | 4.28 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-M... | 18625766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18625766 | 10.1128/aac.01534-07 | Hepatitis C virus | 4 |
| 18625766 | 10.1128/aac.01534-07 | ADMET | 4 |
| 15633995 | 10.1021/jm0400101 | NS3 | 1 |
Data from ChEMBL 36 via Core Engine