Compound Detail
CHEMBL271475
FIALURIDINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL271475 |
| Name | FIALURIDINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IPVFGAYTKQKGBM-BYPJNBLXSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
2
Indications
Molecular Properties
372.1
MW (Da)
-1.27
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Hepatitis B, Chronic Herpes Simplex
Activity Summary
IC50 2 meas. best 6.62
Ki 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase, cytosolic CHEMBL2883 | Ki | 6.85 | 6.435 | 140.0 | 2 |
| Cowpox virus CHEMBL612672 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase, cytosolic | Ki | = | 140.0 | nM | 6.85 | Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes... | 3033244 |
| Cowpox virus | IC50 | = | 240.0 | nM | 6.62 | Antiviral activity against Cowpox virus | 19112024 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of [125I]FIAU uptake in RG2TK+ cells overexpressing HSV1-tk gene | 18800764 |
| Thymidine kinase, cytosolic | Ki | = | 950.0 | nM | 6.02 | Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes... | 3033244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 3033244 | 10.1021/jm00388a021 | Mus musculus | 10 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 3037079 | 10.1021/jm00390a013 | Vero | 5 |
| 3037079 | 10.1021/jm00390a013 | HEp-2 | 5 |
| 218006 | 10.1021/jm00187a005 | Human alphaherpesvirus 1 | 5 |
| 3033244 | 10.1021/jm00388a021 | Vero | 4 |
| 3033244 | 10.1021/jm00388a021 | Cavia porcellus | 4 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 3 |
| 17325220 | 10.1128/aac.01447-06 | Unchecked | 3 |
| 17325220 | 10.1128/aac.01447-06 | Thymidine kinase | 3 |
| 3033244 | 10.1021/jm00388a021 | Thymidine kinase, cytosolic | 3 |
| - | 10.1016/S0960-894X(01)80146-3 | NC-37 | 2 |
| 21965623 | 10.1124/dmd.111.040758 | Bile salt export pump | 2 |
| 3037079 | 10.1021/jm00390a013 | ADMET | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| 3027334 | 10.1021/jm00384a041 | Human alphaherpesvirus 2 | 2 |
| 3027334 | 10.1021/jm00384a041 | Human alphaherpesvirus 1 | 2 |
| 3037079 | 10.1021/jm00390a013 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine