Chemical Information
Antiviral agent ID	DrugRepV_4217
Antiviral agent name	Ingenol-3,20-dibenzoate
IUPAC Name	[(1S,4S,5S,6R,9S,10R,12R,14R)-4-benzoyloxy-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl benzoate
SMILES (canonical)	CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
SMILES (isomeric)	C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
Molecular Formula	C34H36O7
Molecular Weight (g/mol)	556.655
InChl	InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24+,25-,26+,27-,29+,33+,34+/m1/s1
Structural Information
Clinical Information
Category	Dermatologicals
Biological Information
Secondary Indication	Chikungunya virus (CHIKV) NA NA
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	Vero
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Drug concentration)	1.2 ± 0.1 μM
Secondary Indication (Cell based assay)	Cytopathic effect (CPE) assay
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	EC50 [ 50 % ]
Reference	Nothias-Scaglia LF, Pannecouque C, Renucci F, Delang L, Neyts J, Roussi F, Costa J, Leyssen P, Litaudon M, Paolini J..Antiviral Activity of Diterpene Esters on Chikungunya Virus and HIV Replication..J Nat Prod. 2015 Jun 26;78(6):1277-83. doi: 10.1021/acs.jnatprod.5b00073. Epub 2015 May 13. PMID:25970561
Comment	Pearson analysis performed with the anti-CHIKV and anti-HIV data sets demonstrated a linear relationship, which supported the hypothesis made that PKC may be an important target in CHIKV replication.