Compound Detail
CHEMBL1957287
TEGOBUVIR 🧪 Phase II
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🧪 Phase II
Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
Basic Information
| ChEMBL ID | CHEMBL1957287 |
| Name | TEGOBUVIR |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XBEQSQDCBSKCHJ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
3
Known Names
2
Indications
1
Mechanisms
Molecular Properties
517.4
MW (Da)
6.73
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
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 4 meas. best 9.15
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 9.15 | 8.725 | 0.7 | 2 |
| RNA-directed RNA polymerase CHEMBL4296320 | EC50 | 8.54 | 8.54 | 2.9 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.1 | 6.1 | 794.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 0.7 | nM | 9.15 | Antiviral activity against Hepatitis C virus genotype 1b 1389 infected in human ... | 22386565 |
| RNA-directed RNA polymerase | EC50 | = | 2.908 | nM | 8.54 | Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase as... | 29681484 |
| RNA-directed RNA polymerase | EC50 | = | 2.9 | nM | 8.54 | Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase | 29681484 |
| Hepatitis C virus | EC50 | = | 5.0 | nM | 8.3 | Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH7 ... | 24224729 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 794.33 | nM | 6.1 | Inhibition of human ERG expressed in CHO cells | 24224729 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 794.33 | nM | 6.1 | Inhibition of human ERG | 29681484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 29681484 | 10.1016/j.bmc.2018.04.029 | RNA-directed RNA polymerase | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 22386565 | 10.1016/j.bmc.2012.01.031 | Hepatitis C virus | 1 |
| 24224729 | 10.1021/jm401337x | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24224729 | 10.1021/jm401337x | Hepatitis C virus | 1 |
| 29681484 | 10.1016/j.bmc.2018.04.029 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine