| Chemical Information | |
| Antiviral agent ID | DrugRepV_7802 | |
| Antiviral agent name | Betulinic acid |  |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |  |
| SMILES (canonical) | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O | |
| SMILES (isomeric) | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O | |
| Molecular Formula | C30H48O3 | |
| Molecular Weight (g/mol) | 456.7 | |
| InChl | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 | |
| Common Name | Betulic acid | |
| Synonyms | betulinic acid | 472-15-1 | Mairin | Betulic acid | als-357 | |
| Structural Information | |
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| Clinical Information | |
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Primary Indication (Clinical trial phases) | 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) | Dysplastic Nevus Syndrome
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Secondary Indication | Severe acute respiratory syndrome coronavirus (SARS-CoV) NA NA |   |
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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
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Secondary Indication (Mode of viral infection) | Adsorption
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Drug concentration) | >10 μM
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Secondary Indication (Change) | Decrease
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Secondary Indication (Type of Inhibition) | EC50 [ 50 % ] | |
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Secondary Indication (Cytotoxicity) | 150 μM | |
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Reference | Wen CC, Kuo YH, Jan JT, Liang PH, Wang SY, Liu HG, Lee CK, Chang ST, Kuo CJ, Lee SS, Hou CC, Hsiao PW, Chien SC, Shyur LF, Yang NS..Specific plant terpenoids and lignoids possess potent antiviral activities against severe acute respiratory syndrome coronavirus..J Med Chem. 2007 Aug 23;50(17):4087-95. doi: 10.1021/jm070295s. PMID:17663539
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Comment | Specific abietane-type diterpenoids and lignoids exhibit strong anti-SARS-CoV effects
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