Compound Detail
CHEMBL4297647
FURAPREVIR 🧪 Phase III
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🧪 Phase III
CC(C)Oc1ccc(-c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3oc4ccccc4c3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL4297647 |
| Name | FURAPREVIR |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | GZRNOYTVBWWFLJ-NTPALUMKSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
2
Publications
2
Known Names
2
Indications
1
Mechanisms
Molecular Properties
897.1
MW (Da)
6.61
ALogP
12
HBA
3
HBD
208.4
PSA (Ų)
0.14
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Hepatitis C virus serine protease, NS3/NS4A inhibitor | INHIBITOR | Hepatitis C virus serine protease, NS3/NS4A | ✓ | ✓ |
Indications
Hepatitis C Hepatitis C, Chronic
Activity Summary
IC50 6 meas. best 9.22
EC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-structural protein 4b CHEMBL6066153 | IC50 | 9.22 | 8.72 | 0.6 | 6 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| Non-structural protein 4b CHEMBL6066153 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-structural protein 4b | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Hepatitis C virus genotype 1b NS4B | 38179950 |
| Non-structural protein 4b | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Hepatitis C virus genotype 1a NS4B | 38179950 |
| Non-structural protein 4b | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Hepatitis C virus genotype 4a NS4B | 38179950 |
| Non-structural protein 4b | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Hepatitis C virus genotype 5a NS4B | 38179950 |
| Non-structural protein 4b | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Hepatitis C virus genotype 6a NS4B | 38179950 |
| Non-structural protein 4b | EC50 | = | 1.6 | nM | 8.8 | Inhibition of Hepatitis C virus genotype 3a NS4B expressed in Escherichia coli | 38179950 |
| SARS-CoV-2 | EC50 | = | 1.6 | nM | 8.8 | Antiviral activity against SARS-CoV-2 infected in African green monkey Vero cell... | 38179950 |
| Non-structural protein 4b | IC50 | = | 600.0 | nM | 6.22 | Inhibition of Hepatitis C virus genotype 3a NS4B | 38179950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38179950 | 10.1021/acs.jmedchem.3c01971 | Non-structural protein 4b | 7 |
| 38179950 | 10.1021/acs.jmedchem.3c01971 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine