Compound Detail
CHEMBL2016757
GS-441524 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL2016757 |
| Name | GS-441524 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | BRDWIEOJOWJCLU-LTGWCKQJSA-N |
25
Targets
65
Activities
2
Assay Types
30
PK Parameters
20
Publications
3
Known Names
1
Indications
Molecular Properties
291.3
MW (Da)
-1.86
ALogP
9
HBA
4
HBD
149.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Severe Acute Respiratory Syndrome
Activity Summary
EC50 56 meas. best 7.1
IC50 9 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 7.1 | 5.8859 | 80.0 | 27 |
| SARS-CoV CHEMBL4303836 | EC50 | 6.75 | 6.2 | 180.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 6.66 | 6.56 | 220.0 | 2 |
| Human orthopneumovirus CHEMBL613127 | EC50 | 6.28 | 6.28 | 530.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.23 | 6.23 | 590.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 6.16 | 5.6967 | 700.0 | 3 |
| Measles morbillivirus CHEMBL613738 | EC50 | 6.11 | 6.055 | 770.0 | 2 |
| Ebolavirus CHEMBL4434621 | EC50 | 6.11 | 5.965 | 780.0 | 2 |
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | EC50 | 6.07 | 6.07 | 860.0 | 1 |
| Human coronavirus 229E CHEMBL613837 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.89 | 5.6767 | 1300.0 | 3 |
| Canine coronavirus CHEMBL5291668 | EC50 | 5.89 | 5.89 | 1295.0 | 1 |
| Human respirovirus 3 CHEMBL613126 | EC50 | 5.77 | 5.77 | 1710.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 5.73 | 5.73 | 1850.0 | 1 |
| Marburgvirus CHEMBL4296577 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Nipah virus CHEMBL615055 | EC50 | 5.67 | 5.64 | 2120.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.39 | 5.39 | 4100.0 | 3 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.05 | 5.05 | 8910.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.02 | 5.02 | 9460.0 | 1 |
| Murine hepatitis virus CHEMBL613733 | EC50 | 5.0 | 5.0 | 10010.0 | 1 |
| Feline infectious peritonitis virus CHEMBL2367270 | EC50 | 4.97 | 4.97 | 10610.0 | 1 |
| Yellow fever virus CHEMBL613731 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Transmissible gastroenteritis virus CHEMBL613311 | EC50 | 4.8 | 4.8 | 15720.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 4.55 | 4.55 | 27900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 35826.21 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 591916.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 28668.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2230.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 728.17 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5446.75 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 35826.21 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 42816.69 | ng.hr.mL-1 | Chlorocebus sabaeus |
| AUC | 1156.34 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 24291.92 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 486.42 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 917.5 | ng.hr.mL-1 | Chlorocebus sabaeus |
| AUC | 16019.85 | ng.hr.mL-1 | Severe acute respiratory syndrome coronavirus 2 |
| AUC | 6582.7 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2187.44 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 9.333 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 22.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 9.333 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 8.167 | mL.min-1.kg-1 | Chlorocebus sabaeus |
| Cmax | 0.0176 | nM | Homo sapiens |
| Cmax | 79200.0 | nM | Macaca fascicularis |
| Cmax | 561746.83 | nM | Rattus norvegicus |
| Cmax | 92972.16 | nM | Rattus norvegicus |
| Cmax | 1780.0 | nM | Rattus norvegicus |
| Cmax | 13500.0 | nM | Canis lupus familiaris |
| Cmax | 79200.0 | nM | Macaca fascicularis |
| Cmax | 87300.0 | nM | Chlorocebus sabaeus |
| Cmax | 1110.0 | nM | Rattus norvegicus |
| Cmax | 27300.0 | nM | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine