TABLE 1.
Top confirmed anti-SARS-CoV-2 compounds.
| Sample ID | Sample name | CPE EC50 (uM) | CPE % efficacy | Cytotox CC50 (uM) | % Cytotox | Previous reports against CoVs | Approval status | MOA |
|---|---|---|---|---|---|---|---|---|
| Viral target | ||||||||
| NCGC00686694 | Remdesivir | 10.0 | 133.1 | N/A | <30 | Clinical (Beigel et al., 2020) | FDA | RdRP inhibitor |
| Autophagy modulators | ||||||||
| NCGC00387732 | VPS34-IN1 | 0.63 | 103.0 | 10.0 | −76.5 | None | Bioactive | Autophagy modulator |
| NCGC00344081 | STF-62247 | 1.1 | 107.1 | 11.2 | −56.6 | None | Preclinical | Autophagy modulator; Renal cell growth inhibition |
| NCGC00507892 | VPS34 Inhibitor 1 | 1.4 | 98.3 | N/A | <30 | None | Preclinical | Autophagy modulator |
| GPCR modulators | ||||||||
| NCGC00346896 | MCOPPB | 3.5 | 85.6 | N/A | <30 | None | Preclinical | ORL1 (OP4, NOP) agonists |
| NCGC00370950 | GW 803430 | 3.5 | 93.3 | N/A | <30 | None | Bioactive | Melanin-concentrating hormone receptor 1 antagonist |
| NCGC00017063 | Amodiaquine dihydrochloride | 4.0 | 87.2 | N/A | <30 | In vitro live virus (Ianevski et al., 2020) | FDA | Histamine receptor antagonist |
| NCGC00485045 | N-Methylspiperone hydrochloride | 4.5 | 80.0 | N/A | <30 | None | Clinical trial | Serotonin 2 (5-HT2) receptor antagonist |
| NCGC00016710 | Clemastine fumarate | 7.9 | 96.0 | N/A | <30 | Mpro assay (Vatansever et al., 2020) | FDA | Histamine receptor antagonist |
| NCGC00386477 | GMC 2-29 | 7.9 | 117.2 | N/A | <30 | None | Bioactive | 5-hydroxytryptamine receptor 1D antagonist |
| NCGC00378842 | Lu AE58054 hydrochloride | 10.0 | 97.2 | N/A | <30 | None | Clinical trial | Serotonin 6 (5-HT6) receptor antagonist |
| NCGC00013683 | Chlorprothixene | 10.0 | 104.4 | N/A | <30 | None | FDA | Dopamine receptor antagonist |
| NCGC00014482 | Methdilazine hydrochloride | 10.0 | 86.4 | N/A | <30 | Virtual: AI prediction (Grzybowski et al., 2020) | FDA | Antihistamine |
| NCGC00179370 | Methotrimeprazine maleate | 10.0 | 84.6 | N/A | <30 | None | FDA | Antagonist for adrenergic, dopamine, histamine, cholinergic and serotonin (5-hydroxytryptamine; 5-HT) receptors |
| NCGC00016642 | Piperacetazine | 10.0 | 103.7 | N/A | <30 | None | FDA | Dopamine receptor antagonist |
| NCGC00181913 | Difeterol | 10.0 | 113.4 | N/A | <30 | None | Approved outside of US | Antihistamine |
| NCGC00386484 | (R)-(-)-LY 426965 dihydrochloride | 10.0 | 110.7 | N/A | <30 | None | Bioactive | Serotonin 2b (5-HT2b) receptor modulator |
| NCGC00015608 | Loperamide hydrochloride | 10.0 | 98.6 | N/A | <30 | In vitro live virus (Jeon et al., 2020) | FDA | Opioid receptor agonist |
| NCGC00485321 | Naltrindole isothiocyanate hydrochloride | 10.0 | 114.7 | N/A | <30 | None | Bioactive | Delta opioid receptor antagonist |
| NCGC00165726 | AM1241 | 10.0 | 97.6 | N/A | <30 | None | Bioactive | Cannabinoid CB2 receptor agonist |
| NCGC00386703 | CpdD hydrochloride | 10.0 | 96.9 | N/A | <30 | None | Bioactive | Ghrelin receptor antagonist |
| NCGC00386219 | SB 271046 hydrochloride | 10.0 | 107.5 | N/A | <30 | None | Bioactive | Serotonin 6 (5-HT6) receptor antagonist |
| NCGC00386479 | GMC 2-113 | 10.0 | 129.7 | N/A | <30 | Virtual: RdRP (Dwivedy et al., 2020) | Bioactive | 5-hydroxytryptamine receptor 1D antagonist |
| Host protease inhibitors | ||||||||
| NCGC00386330 | Z-FA-FMK | 0.13 | 104.8 | N/A | <30 | Mpro assay, in vitro live virus (Zhu et al., 2020b) | Bioactive | Cathepsin L inhibitor |
| NCGC00485951 | VBY-825 | 0.14 | 97.8 | N/A | <30 | In vitro live virus (Riva et al., 2020) | Clinical trial | Cathepsin S inhibitor |
| NCGC00345807 | CAA-0225 | 0.20 | 99.3 | N/A | <30 | None | Preclinical | Cathepsin L inhibitors |
| NCGC00386232 | Cathepsin Inhibitor 1 | 0.25 | 114.4 | N/A | <30 | None | Bioactive | Cathepsin inhibitors |
| NCGC00163432 | Calpeptin | 0.50 | 111.7 | N/A | <30 | Mpro assay, in vitro live virus (Ma et al., 2020) | Preclinical | Calpain inhibitor |
| NCGC00485375 | Z-Gly-Leu-Phe-chloromethyl ketone | 1.3 | 87.2 | N/A | <30 | None | Bioactive | Granzyme B Inhibitor |
| NCGC00371151 | Balicatib | 2.0 | 100.3 | N/A | <30 | None | Clinical trial | Cruzipain (Trypanosoma cruzi) inhibitor |
| NCGC0016166 | Calpain Inhibitor I, ALLN | 2.0 | 111.1 | N/A | <30 | None | Bioactive | Calpain inhibitor |
| Kinase modulators | ||||||||
| NCGC00263093 | Apilimod | 0.023 | 104.4 | N/A | <30 | In vitro live virus (Riva et al., 2020) | Clinical trial | IL-12 Production inhibitor; PIKfyve inhibitor |
| NCGC00386313 | Berzosertib | 0.71 | 87.9 | 11.2 | -98.5 | None | Clinical trial | ATR Kinase inhibitor |
| NCGC00347280 | IKK-2 inhibitor VIII | 7.1 | 91.7 | N/A | <30 | None | Preclinical | IKK-2 (IKK-beta) inhibitor |
| NCGC00387166 | NSC 33994 | 8.9 | 107.6 | N/A | <30 | None | Bioactive | Jak2 inhibitor |
| NCGC00159456 | Imatinib | 10.0 | 119.0 | N/A | <30 | Clinical (Morales-Ortega et al., 2020) | FDA | Bcr-Abl kinase inhibitor; KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor |
| Others | ||||||||
| NCGC00178090 | Pristimerin | 0.11 | 87.4 | 1.1 | −93.2 | SARS Mpro assay (Ryu et al., 2010) | Preclinical | Monoacylglycerol lipase (MGL) inhibitor |
| NCGC00385252 | alpha-l-Arabinopyranose | 2.4 | 104.0 | N/A | <30 | None | Bioactive | Induces Pbad promoter expression in E. coli |
| NCGC00351072 | ML414 | 3.2 | 79.6 | N/A | <30 | None | Bioactive | Oligosaccharyltransferase inhibitor |
| NCGC00379165 | IT1t dihydrochloride | 3.5 | 96.3 | N/A | <30 | None | Bioactive | CXCR4 inhibitor |
| NCGC00485648 | S-15176 difumarate salt | 3.8 | 127.4 | N/A | <30 | None | Bioactive | Oxidative stress inhibitor |
| NCGC00384450 | JTV519 Hemifumarate | 5.5 | 85.7 | N/A | <30 | None | Clinical trial | Ryanodine receptor (RyR) inhibitor |
| NCGC00253604 | Rescimetol | 8.9 | 81.8 | N/A | <30 | None | Approved outside of US | Antihypertensive agent |
| NCGC00164559 | Duloxetine hydrochloride | 10.0 | 90.0 | N/A | <30 | Mpro assay (Vatansever et al., 2020) | FDA | Norepinephrine reuptake inhibitor; Serotonin-norepinephrine reuptake inhibitor (SNRI) |
| NCGC00181168 | Trifluomeprazine 2-butenedioate | 10.0 | 90.2 | N/A | <30 | None | Bioactive | Antipsychotic agents |
| NCGC00169804 | Asteriscunolide D | 10.0 | 93.3 | N/A | <30 | None | Bioactive | Natural product |
| NCGC00485925 | Genz-123346 (free base) | 10.0 | 99.4 | N/A | <30 | In vitro live virus (Vitner et al., 2020) | Bioactive | Ceramide glucosyltransferase inhibitor |
| NCGC00015708 | Maprotiline hydrochloride | 10.0 | 103.7 | N/A | <30 | Virtual: Mpro docking (Chauhan, 2020) | FDA | Norepinephrine reputake inhibitor; tricyclic antidepressant |
| NCGC00168786 | Deserpidine | 10.0 | 84.7 | N/A | <30 | Virtual: NSP16 docking (Jiang et al., 2020) | FDA | Angiotensin converting enzyme inhibitor |
| NCGC00015096 | Amiodarone hydrochloride | 10.0 | 100.5 | N/A | <30 | Clinical (Castaldo et al., 2020) | FDA | Potassium channel blocker |
| NCGC00181088 | Melitracen hydrochloride | 10.0 | 97.1 | N/A | <30 | None | Approved outside of US | Antidepressive agents, tricyclic |
| NCGC00015428 | (+/-) -Fluoxetine | 10.0 | 115.8 | N/A | <30 | In vitro live virus (Zimniak et al., 2020) | FDA | Selective serotonin reuptake inhibitor (SSRI) |
| NCGC00018102 | Flunarizine | 10.0 | 94.1 | N/A | <30 | Virtual: Spike docking (Chernyshev, 2020) | Approved outside of US | Calcium channel blocker |
| NCGC00183024 | Proglumetacin | 10.0 | 87.6 | N/A | <30 | None | Approved outside of US | Cyclooxygenase inhibitor |
| NCGC00378760 | DMP 777 | 10.0 | 92.5 | N/A | <30 | None | Clinical trial | Leukocyte elastase inhibitor |
| NCGC00476094 | Dexanabinol | 10.0 | 110.8 | N/A | <30 | None | Clinical trial | NMDA antagonist |