| Chemical Information | |
| Antiviral agent ID | DrugRepV_7600 | |
| Antiviral agent name | Abemaciclib |  |
| IUPAC Name | N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine |  |
| SMILES (canonical) | CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F | |
| Molecular Formula | C27H32F2N8 | |
| Molecular Weight (g/mol) | 506.6 | |
| InChl | InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | |
| Structural Information | |
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| Clinical Information | |
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Category | Antineoplastic And Immunomodulating Agents
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Primary Indication (Clinical trial phases) | Approved, Investigational
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| Biological Information | |
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Primary Indication (Disease Category) | Non Infectious Disease
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Primary Indication (Disease) | Cancer
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Secondary Indication | SARS Coronavirus-2 (SARS-CoV-2) 2 ?CoV/KOR/KCDC03/2020) |   |
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Secondary Indication (Approaches) | Experimental | |
| Secondary Indication (Methods) | In-vitro | |
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Secondary Indication (Model system) [cell lines/ animal models] | Vero E6 cells (ATCC CCL-81)
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Secondary Indication (Mode of viral infection) | Adsorption
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Secondary Indication (Viral titer) | 0.0125 MOI
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Drug concentration) | 3353.7 ng/mL
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Secondary Indication (Cell based assay) | Immunofluorescence
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Secondary Indication (Change) | Decrease
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Secondary Indication (Type of Inhibition) | EC50 [ 50 % ] | |
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Reference | Arshad U, Pertinez H, Box H, Tatham L, Rajoli RKR, Curley P, Neary M, Sharp J, Liptrott NJ, Valentijn A, David C, Rannard SP, O'Neill PM, Aljayyoussi G, Pennington SH, Ward SA, Hill A, Back DJ, Khoo SH, Bray PG, Biagini GA, Owen A..Prioritization of Anti-SARS-Cov-2 Drug Repurposing Opportunities Based on Plasma and Target Site Concentrations Derived from their Established Human Pharmacokinetics..Clin Pharmacol Ther. 2020 May 21:10.1002/cpt.1909. doi: 10.1002/cpt.1909. PMCID: PMC7280633. PMID:32438446
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Comment | Hydroxycloroquine, chloroquine, mefloquine, atazanavir (ritonavir-boosted), tipranavir (ritonavirboosted), ivermectin, azithromycin and lopinavir (ritonavir-boosted) were all predicted to achieve lung concentrations over 10-fold higher than their reported EC50. Nitazoxanide and sulfadoxine also exceeded their reported EC50 by 7.8- and 1.5-fold in lung, respectively.
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