Table 1.
List of FDA-approved and investigational compounds predicted by computational drug repurposing methods to be effective against COVID-19. The predicted mechanism of action and current indication is included where available. Hyperlinks are provided for compounds in clinical trials. *Compound failing experimental validation or clinical trial.
| Drug Name | Predicted MOA | Predicted Class | Current indication | Reference | Validation |
|---|---|---|---|---|---|
| Bedaquiline | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antibacterial | 101 | In vitro (cell culture) |
| Carmofur | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antineoplastic | 61 | In vitro (cell culture & FRET assay) |
| Cinanserin | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | No current pharmaceutical use | 63 | In vitro (tissue culture) |
| Disulfiram | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Alcoholism medication | 61 | In vitro (cell culture & FRET assay) |
| Ebselen | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Potential diabetes medication | 61 | In vitro (cell culture & FRET assay) |
| N3 | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | No current pharmaceutical use | 61 | In vitro (cell based assays) |
| PX-12 | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Potential antineoplastic medication | 61 | In vitro (cell culture & FRET assay) |
| Shikonin | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Homeopathic medication | 61 | In vitro (cell culture & FRET assay), |
| TDZD-8 | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Potential Alzheimer's medication | 61 | In vitro (cell culture & FRET assay) |
| Tideglusib | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Potential Alzheimer's medication | 61 | In vitro (cell culture & FRET assay) |
| Baloxavir marboxil | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antiviral for influenza | 102 | In vivo (clinical trial) |
| Mefloquine | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antimalarial agent | 103 | In vitro (cell culture) |
| Almitrine | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Potential agent for the treatment of COPD | 104 | In vivo |
| Ritonavir | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antiviral for HIV | 105 | In vivo (clinical trial)* |
| Indinavir | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antiviral for HIV | 106 | In vitro (cell culture)* |
| Telmisartan | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Anti-hypertensive | clinical trial | In vivo (clinical trial) |
| Atazanavir | inhibitor of MPro/3CL, RdRp, Helicase | inhibitor of SARS-CoV-2 protein(s) | Antiviral for HIV | 107 | In vitro (cell culture) |
| Remdesivir | inhibitor of MPro/3CL, RdRp | inhibitor of SARS-CoV-2 protein(s) | Antiviral for Ebola, approved for use for SARS CoV-2 | 18 | In vivo (clinical trial) |
| Ciclesonide | inhibitor of MPro/3CL, NSP15 | inhibitor of SARS-CoV-2 protein(s) | Agent for the treatment of Asthma (anti-inflammatory) | 108 | In vitro (cell culture) |
| Sofosbuvir | inhibitor of RdRp | inhibitor of SARS-CoV-2 protein(s) | Antiviral for HepC | clinical trial | In vivo (clinical trial) |
| Hydroxychloroquine (HCQ) | inhibitor of RdRp | inhibitor of SARS-CoV-2 protein(s) | Antimalarial agent | 109 | In vivo (clinical trial)* |
| Favipiravir | inhibitor of RdRp | inhibitor of SARS-CoV-2 protein(s) | Antiviral agent | clinical trial | In vivo (clinical trial) |
| Ribavirin | inhibitor of PLpro | inhibitor of SARS-CoV-2 protein(s) | Antiviral, broad-spectrum | 110 | In vivo (clinical trial)* |
| Amodiaquine | based on similarity to HCQ | inhibitor of SARS-CoV-2 protein(s) | Anti-malarial | 111 | In vitro (cell culture) |
| Cycloheximide | protein translation inhibitor | inhibitor of host protein(s)/pathway(s) | No current pharmaceutical use | 95 | In vitro (cell culture) |
| Emetine | protein translation inhibitor | inhibitor of host protein(s)/pathway(s) | Antiprotozoal | 112 | In vitro (cell culture) |
| Rapamycin | mTOR inhibitor | inhibitor of host protein(s)/pathway(s) | Immunosuppressant with antifungal and antineoplastic properties | clinical trial | In vivo (clinical trial) |
| Toremifene | estrogen receptor modulators | inhibitor of host protein(s)/pathway(s) | Selective estrogen receptor modulator | 113 | In vitro (cell culture) |
| Tamoxifen | estrogen receptor modulators | inhibitor of host protein(s)/pathway(s) | Selective estrogen receptor modulator | 114 | In vitro (cell culture) |
| Chloroquine | sigma1 receptor of Endoplasmic Reticulum | inhibitor of host protein(s)/pathway(s) | Antiparasitic | 115 | In vitro (cell culture) |
| Merimepodib | inhibitor of host proteins interacting with SARS-CoV-2 Nsp14 | inhibitor of host protein(s)/pathway(s) | IMPDH inhibitor | clinical trial | In vivo (clinical trial) |
| Mycophenolic acid | inhibitor of host proteins interacting with SARS-CoV-2 Nsp14 | inhibitor of host protein(s)/pathway(s) | Immunosuppressant | 116 | In vitro (cell culture) |
| Silmitasertib | Kinase inhibitor | inhibitor of host protein(s)/pathway(s) | Potential antineoplastic | 90 | In vitro (cell culture) |
| Gilteritinib | Kinase inhibitor | inhibitor of host protein(s)/pathway(s) | Antineoplastic | 90 | In vitro (cell culture) |
| ARRY-797 | Kinase inhibitor | inhibitor of host protein(s)/pathway(s) | Potential cardiovascular agent | 90 | In vitro (cell culture) |
| MAPK13-IN-1 | Kinase inhibitor | inhibitor of host protein(s)/pathway(s) | Potential antineoplastic | 90 | In vitro (cell culture) |
| SB203580 | Kinase inhibitor | inhibitor of host protein(s)/pathway(s) | Potential antineoplastic | 90 | In vitro (cell culture) |
| Ralimetinib | Kinase inhibitor | inhibitor of host protein(s)/pathway(s) | Potential antineoplastic | 90 | In vitro (cell culture) |
| Apilimod | Kinase inhibitor | inhibitor of host protein(s)/pathway(s) | Antiviral and antineoplastic | 90 | In vitro (cell culture) |
| Imatinib | Kinase inhibitor | inhibitor of host protein(s)/pathway(s) | Antineoplastic | 116 | In vitro (cell culture) |
| Dinaciclib | Kinase inhibitor | inhibitor of host protein(s)/pathway(s) | Potential antineoplastic | 90 | In vitro (cell culture) |
| Camostat mesylate | TMPRSS2 inhibitor | inhibitor of host protein(s)/pathway(s) | Agent for treatment of pancreatitis | 117 | In vitro (cell culture) |
| Nafamostat mesylate | TMPRSS2 inhibitor | inhibitor of host protein(s)/pathway(s) | Anticoagulant | clinical trial | In vivo (clinical trial) |
| Lopinavir | Protease inhibitor | inhibitor of host protein(s)/pathway(s) | Antiretroviral | 112 | In vitro (cell culture) |
| Zotatifin | translation inhibitor | inhibitor of host protein(s)/pathway(s) | Potential antineoplastic | clinical trial | in vivo (clinical trial) |
| Colchicine | Anti-inflammatory | inhibitor of host protein(s)/pathway(s) | Anti-inflammatory | clinical trial | In vivo (clinical trial) |
| Melatonin | Anti-inflammatory | inhibitor of host protein(s)/pathway(s) | Anti-inflammatory | clinical trial | In vivo (clinical trial) |
| Siltuximab | IL6 inhibitor | inhibitor of host protein(s)/pathway(s) | Anti-inflammatory agent | 118 | In vivo |
| Tetrandrine | Calcium channel blocker | inhibitor of host protein(s)/pathway(s) | Agent for the treatment of hypertension | 119 | In vitro (cell culture) |
| Lacking validation | |||||
| Carvedilol | inhibitor of SARS-CoV-2 protein(s), MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Treatment of high blood pressure, congestive heart failure | ||
| Conivaptan | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Treatment for hyponatremia | ||
| Chloroxine | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antibacterial | ||
| Demexiptiline | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antidepressant | ||
| Fluorouracil | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antineoplastic | ||
| Debio-1347 | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antineoplastic | ||
| Mercaptopurine | inhibitor of MPro/3CL | inhibitor of SARS-CoV-2 protein(s) | Antineoplastic agent with immunosuppressant properties | ||
| Emodin | inhibitor of MPro/3CL, Spike protein | inhibitor of SARS-CoV-2 protein(s) | Treatment of Polycystic kidney | ||
| Ganciclovir | inhibitor of MPro/3CL, RdRp, Helicase | inhibitor of SARS-CoV-2 protein(s) | Antiviral | ||
| Idarubicin | inhibitor of RdRp | inhibitor of SARS-CoV-2 protein(s) | Antineoplastic | ||
| Valaciclovir | inhibitor of Spike protein & Spike protein - ACE2 interface complex | inhibitor of SARS-CoV-2 protein(s) | Antiviral | ||
| Sulfamethoxazole | inhibitor of Spike protein & Spike protein - ACE2 interface complex | inhibitor of SARS-CoV-2 protein(s) | Antibacterial | ||
| Dactinomycin | RNA synthesis inhibitor | inhibitor of host protein(s)/pathway(s) | Antineoplastic | ||
| Plitidepsin | translation inhibitor | inhibitor of host protein(s)/pathway(s) | Antineoplastic | ||
| Haloperidol | sigma1/2 receptor of Endoplasmic Reticulum | inhibitor of host protein(s)/pathway(s) | Antipsychotic | ||
| Clemastine | sigma1/2 receptor of Endoplasmic Reticulum | inhibitor of host protein(s)/pathway(s) | Anti allergy | ||
| Cloperastine | sigma1/2 receptor of Endoplasmic Reticulum | inhibitor of host protein(s)/pathway(s) | Cough suppressant | ||
| Pladienolide B | spliceosome inhibitor | inhibitor of host protein(s)/pathway(s) | Potential antineoplastic | ||
| 2-deoxy-D-glucose | carbon metabolism | inhibitor of host protein(s)/pathway(s) | Potential antineoplastic and antiviral | ||
| NMS-873 | protein homeostasis machinery | inhibitor of host protein(s)/pathway(s) | No current pharmaceutical use | ||