Compound Detail
CHEMBL4065616
REMDESIVIR 💊 Approved Drug
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💊 Approved Drug
CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4065616 |
| Name | REMDESIVIR |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RWWYLEGWBNMMLJ-YSOARWBDSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL2016761 |
21
Targets
217
Activities
2
Assay Types
30
PK Parameters
20
Publications
4
Known Names
10
Indications
2
Mechanisms
Molecular Properties
602.6
MW (Da)
2.31
ALogP
13
HBA
4
HBD
203.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2020 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| RNA-directed RNA polymerase L inhibitor | INHIBITOR | RNA-directed RNA polymerase L | ✓ | ✓ |
| Replicase polyprotein 1ab inhibitor | INHIBITOR | Replicase polyprotein 1ab | ✓ | ✓ |
Indications
Coronavirus Infections COVID-19 Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome Virus Diseases Influenza, Human Pneumonia Hemorrhagic Fever, Ebola Respiratory Distress Syndrome Pneumonia, Viral
ATC Classification
J05AB16
remdesivir
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIVIRALS FOR SYSTEMIC USE
Drug Warnings
Black Box Warning
General Warning
Activity Summary
EC50 168 meas. best 8.58
IC50 49 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 8.9 | 6.2183 | 1.2 | 30 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 8.58 | 6.4408 | 2.6 | 100 |
| Human coronavirus OC43 CHEMBL5209665 | EC50 | 8.0 | 7.142 | 10.0 | 5 |
| Ebolavirus CHEMBL4434621 | EC50 | 7.92 | 6.9375 | 12.0 | 20 |
| Human orthopneumovirus CHEMBL613127 | EC50 | 7.82 | 7.695 | 15.0 | 4 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 7.72 | 7.478 | 19.0 | 5 |
| Unchecked CHEMBL612545 | EC50 | 7.7 | 7.64 | 20.0 | 3 |
| Hepatitis C virus CHEMBL379 | EC50 | 7.64 | 7.44 | 23.0 | 2 |
| Human coronavirus 229E CHEMBL613837 | EC50 | 7.62 | 7.48 | 24.0 | 4 |
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | EC50 | 7.6 | 7.224 | 25.0 | 5 |
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | IC50 | 7.6 | 7.4433 | 25.0 | 3 |
| Nipah virus CHEMBL615055 | EC50 | 7.54 | 7.54 | 29.0 | 4 |
| Murine hepatitis virus CHEMBL613733 | EC50 | 7.52 | 6.63 | 30.0 | 2 |
| Human coronavirus 229E CHEMBL613837 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| SARS-CoV CHEMBL4303836 | EC50 | 7.22 | 7.172 | 60.0 | 5 |
| ADMET CHEMBL612558 | IC50 | 6.96 | 6.905 | 110.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.5 | 5.9633 | 320.0 | 3 |
| Ebolavirus CHEMBL4434621 | IC50 | 6.5 | 5.2975 | 320.0 | 4 |
| Junin virus CHEMBL4523072 | EC50 | 6.33 | 6.33 | 470.0 | 1 |
| Human coronavirus OC43 CHEMBL5209665 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Zika virus CHEMBL4296612 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | EC50 | 6.14 | 6.06 | 730.0 | 2 |
| Enterovirus A71 CHEMBL612436 | EC50 | 6.0 | 6.0 | 991.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.92 | 5.7575 | 1190.0 | 4 |
| NS5 CHEMBL4523952 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
| Lassa virus CHEMBL615051 | EC50 | 5.83 | 5.83 | 1480.0 | 1 |
| Tick-borne encephalitis virus CHEMBL4296604 | EC50 | 5.68 | 5.57 | 2100.0 | 2 |
| Yellow fever virus CHEMBL613731 | EC50 | 5.21 | 5.21 | 6200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4760.46 | ng.hr.mL-1 | Chlorocebus sabaeus |
| AUC | 5302.79 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 1590.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 4760.46 | ng.hr.mL-1 | Severe acute respiratory syndrome coronavirus 2 |
| CL | 32.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 35.5 | mL.min-1.kg-1 | Chlorocebus sabaeus |
| Cmax | 0.11 | nM | Homo sapiens |
| Cmax | 0.09 | nM | Homo sapiens |
| Cmax | 0.3 | nM | Homo sapiens |
| Cmax | 5000.0 | nM | Homo sapiens |
| Cmax | 1000.0 | nM | Homo sapiens |
| Cmax | 12600.0 | nM | Chlorocebus sabaeus |
| Cmax | 22700.0 | nM | Macaca fascicularis |
| Cmax | 1230.0 | nM | Severe acute respiratory syndrome coronavirus 2 |
| F | 1.0 | % | Macaca fascicularis |
| T1/2 | 3.25 | hr | Homo sapiens |
| T1/2 | 1.15 | hr | Homo sapiens |
| T1/2 | 14.0 | hr | Macaca mulatta |
| T1/2 | 16.0 | hr | Homo sapiens |
| T1/2 | 0.39 | hr | Macaca mulatta |
| T1/2 | 14.0 | hr | Macaca mulatta |
| T1/2 | 0.4167 | hr | Mus musculus |
| T1/2 | 0.4 | hr | Macaca mulatta |
| T1/2 | 0.8 | hr | Chlorocebus sabaeus |
| T1/2 | 0.4 | hr | Macaca fascicularis |
| T1/2 | 0.6783 | hr | Homo sapiens |
| T1/2 | 0.01433 | hr | Homo sapiens |
| T1/2 | 0.9083 | hr | Cricetulus griseus |
| T1/2 | 0.008 | hr | Cricetulus griseus |
| t1/2 | - | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine