Compound Detail
CHEMBL490672
FILIBUVIR 🧪 Phase III
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🧪 Phase III
CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1
Basic Information
| ChEMBL ID | CHEMBL490672 |
| Name | FILIBUVIR |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | SLVAPEZTBDBAPI-GDLZYMKVSA-N |
3
Targets
27
Activities
2
Assay Types
12
PK Parameters
20
Publications
3
Known Names
2
Indications
1
Mechanisms
Molecular Properties
503.6
MW (Da)
5.12
ALogP
8
HBA
1
HBD
102.5
PSA (Ų)
0.43
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| RNA-directed RNA polymerase inhibitor | INHIBITOR | RNA-directed RNA polymerase | ✓ | ✓ |
Indications
Hepatitis C Hepatitis C, Chronic
Activity Summary
EC50 25 meas. best 7.73
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus NS5B RNA-dependent RNA polymerase CHEMBL5375 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 7.73 | 7.452 | 18.7 | 25 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 27.0 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 20.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 21.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.93 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 21.0 | mL.min-1.kg-1 | Macaca fascicularis |
| F | 75.0 | % | Rattus norvegicus |
| F | 49.0 | % | Canis lupus familiaris |
| T1/2 | 2.5 | hr | Rattus norvegicus |
| T1/2 | 4.4 | hr | Canis lupus familiaris |
| T1/2 | 2.1 | hr | Macaca fascicularis |
| Tmax | 0.94 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine