| Chemical Information | |
| Antiviral agent ID | DrugRepV_7728 | |
| Antiviral agent name | Hanfangchin A | |
| IUPAC Name | (1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene |  |
| SMILES (canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC | |
| SMILES (isomeric) | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC | |
| Molecular Formula | C38H42N2O6 | |
| Molecular Weight (g/mol) | 622.762 | |
| InChl | InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1 | |
| Structural Information | |
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| Clinical Information | |
| Biological Information | |
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Secondary Indication | SARS Coronavirus-2 (SARS-CoV-2) 2 SARS-CoV-2-USA-WA1/2020 |   |
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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] | Huh-7-ACE2
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Secondary Indication (Mode of viral infection) | Adsorption
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Secondary Indication (Viral titer) | 0.3 MOI
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Time of drug delivery) | Post infection
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Secondary Indication (Duration of drug delivery) | 24 hours
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Secondary Indication (Drug concentration) | 0.64 μM
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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 | Riva L, Yuan S, Yin X, Martin-Sancho L, Matsunaga N, Pache L, Burgstaller-Muehlbacher S, De Jesus PD, Teriete P, Hull MV, Chang MW, Chan JF, Cao J, Poon VK, Herbert KM, Cheng K, Nguyen TH, Rubanov A, Pu Y, Nguyen C, Choi A, Rathnasinghe R, Schotsaert M, Miorin L, Dejosez M, Zwaka TP, Sit KY, Martinez-Sobrido L, Liu WC, White KM, Chapman ME, Lendy EK, Glynne RJ, Albrecht R, Ruppin E, Mesecar AD, Johnson JR, Benner C, Sun R, Schultz PG, Su AI, García-Sastre A, Chatterjee AK, Yuen KY, Chanda SK..Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing..Nature. 2020 Jul 24. doi: 10.1038/s41586-020-2577-1. PMID:32707573
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Comment | We report the identification of 21 molecules, including remdesivir, which were confirmed to possess dose/activity relationships, and 13 of these compounds were found to harbor EC50 values <500 nM in at least one cell line
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